frame id common name Chemical formula Smiles Kegg id Cas id
COB-I-ALAMIN cob(I)alamin C62H88N13O14PCo CC3(CC(N)=O)(C8(N2([Co+1]5711(N1(=C(C(CCC(N)=O)C(C)(C)C1=CC=2C3CCC(N)=O)C(C)=C4(C(C)(C(CC(N)=O)[CH](N45)C6(C)(C(CC(N)=O)(C)C(C(=N67)C=8C)CCC(=O)N))CCC(=O)NC[CH](C)OP(=O)([O-1])OC9(C(O)C(OC9CO)N10(c12(c(N(=C10)11)cc(C)c(c12)C))))))))) 18534-66-2
D-CARNITINE D-carnitine C7H15NO3 C([N+1](C)(C)C)C(O)CC([O-1])=O 541-14-0
CARNITINE L-carnitine C7H15NO3 C([N+1](C)(C)C)C(O)CC([O-1])=O 541-15-1
THIAMINE thiamine C12H17N4OS c1(c(cnc(C)n1)C[n+1]2(c(C)c(sc2)CCO))(N) 59-43-8
RIBOFLAVIN riboflavin C17H20N4O6 C(O)C(O)C(O)C(O)Cn2(c1(c(C(=O)NC(N=1)=O)=nc3(c2cc(C)c(C)c3))) C00255 83-88-5
NIACINE nicotinate C6H4NO2 c1(ncc(cc1)C([O-1])=O) C00253 59-67-6
NIACINAMIDE nicotinamide C6H6N2O c1(ccc(cn1)C(N)=O) C00153 98-92-0
BIOTIN biotin C10H16N2O3S C1(SC([CH]2([CH]1NC(N2)=O))CCCCC(O)=O) C00120 58-85-5
ASCORBATE L-ascorbate C6H8O6 C1(OC(C(O)CO)C(O)=C(O)1)(=O) 50-81-7
ADENOSYLCOBALAMIN coenzyme B12 C72H109N18O17PCo CC8(CC(N)=O)(C(CCC(N)=O)C1(N7([Co+1]4611(N2(C(C(C(C)(C)C(C=1)=2)CCC(N)=O)=C(C)C3(C(C)(C(CC(N)=O)[CH](N=34)C5(C)(C(CC(N)=O)(C)C(C(N56)=C(C=78)C)CCC(=O)N))CCC(=O)NC[CH](C)OP(=O)([O-1])OC9(C(O)C(OC9CO)N10(c12(c(N(=C10)11)cc(C)c(c12)C))))))(CC13(OC(C(O)C13O)N14(C15(C(NC14)C(N)NCN15))))))) 13870-90-1
OCTAPRENYL-DIPHOSPHATE octaprenyl diphosphate C40H68O7P2 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(O)(O)=O
PHENYLACETATE phenylacetate C8H8O2 C(=O)(O)Cc1(ccccc1)
GLYCOL glycol C2H6O2 C(O)CO 107-21-1
GLYCERATE glycerate C3H6O4 C(O)C(O)C(O)=O 6000-40-4
G3P 3-phosphoglycerate C3H7O7P C(C(O)C(O)=O)OP(O)(O)=O 820-11-1
DPG 1,3-diphosphateglycerate C3H8O10P2 C(OP(O)(O)=O)(=O)C(O)COP(O)(O)=O 1981-49-3
2-PG 2-phosphoglycerate C3H7O7P C(O)C(C(O)=O)OP(O)(O)=O 2553-59-5
2-O-ALPHA-MANNOSYL-D-GLYCERATE 2-O-α-mannosyl-D-glycerate C9H16O9 C(O)C(C(O)=O)OC1(C(O)C(O)C(O)C(O1)CO)
UNDECAPRENYL-DIPHOSPHATE undecaprenyl diphosphate C55H92O7P2 C(OP(O)(=O)OP(O)(=O)O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
FARNESYL-PP trans, trans-farnesyl diphosphate C15H28O7P2 CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O 146-14-5 13058-04-3
TOPAQUINONE topaquinone C9H9NO5 C(=O)(O)C(N)CC1(C(=O)C=C(O)C(C=1)=O)
PQQ PQQ C14H6N2O8 C(=O)(O)c2(cc(C(O)=O)c1(c3(c(C(=O)C(=O)c1n2)cc([nH]3)C(O)=O))) 72909-34-3
OCTAPRENYL-METHYL-OH-METHOXY-BENZQ 3-demethylubiquinone-8 C48H72O4 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(OC)=C(O)C(=O)C=1C)
OCTAPRENYL-METHYL-METHOXY-BENZQ 2-octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone C48H72O3 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(OC)=CC(=O)C=1C)
OCTAPRENYL-METHOXY-BENZOQUINONE 2-octaprenyl-6-methoxy-1,4-benzoquinone C47H70O3 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(OC)=CC(C=1)=O)
XANTHOSINE-5-PHOSPHATE xanthosine-5-phosphate C10H13N4O9P C(OP(O)(O)=O)[CH]1(O[CH]([CH](O)[CH]1O)n2(c3(c(nc2)c(=O)[nH]c([nH]3)=O)))
XANTHOSINE xanthosine C10H12N4O6 c1(c2(c([nH]c([nH]1)=O)n(cn2)[CH]3([CH](O)[CH](O)[CH](O3)CO)))(=O) C01762 146-80-5
XANTHINE xanthine C5H4N4O2 c12(c([nH]cn1)c(=O)[nH]c(=O)[nH]2) 69-89-6
WATER H2O H2O [OH2] 7732-18-5
UROPORPHYRINOGEN-III uroporphyrinogen-III C40H44N4O16 C(=O)(O)CCc5(c4(Cc1(nc(c(CCC(O)=O)c1CC(=O)O)Cc2(nc(c(CC(O)=O)c2CCC(O)=O)Cc3(nc(c(c3CC(O)=O)CCC(=O)O)Cc(n4)c5CC(O)=O))))) 1976-85-8
UREA urea CH4N2O C(N)(N)=O C00086 57-13-6
URATE urate C5H3N4O3 c2(=O)([nH]c([O-1])nc1([nH]c(=O)[nH]c12)) 69-93-2
UNDECAPRENYL-PHOSPHATE-L-ARA4-FORMYL-N undecaprenyl phosphate-L-Ara4-Formyl-N C61H100NO8P CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OC1(C(O)C(O)C(CO1)NC=O)
UNDECAPRENYL-P undecaprenyl phosphate C55H91O4P CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(O)=O
UDP-L-ARA4-FORMYL-N UDP-L-Ara4-Formyl-N C15H23N3O16P2 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(CO3)NC=O)))
TRIMETHYLAMINE trimethylamine C3H9N CN(C)C 75-50-3
TRIMENTHLAMINE-N-O trimethylamine-N-oxide C3H9NO C[N+1](C)(C)[O-1]
THZ-P 4-methyl-5-(β-hydroxyethyl)thiazole phosphate C6H10NO4PS Cc1(c(scn1)CCOP(O)(=O)O)
THZ 4-methyl-5-(β-hydroxyethyl)thiazole C6H9NOS Cc1(c(CCO)scn1) 137-00-8
threo-d(s)-iso-citrate isocitrate C6H8O7 C(=O)(O)CC(C(=O)O)C(O)C(O)=O 320-77-4
THIOGLYCOLATE thioglycolate C2H4O2S C(O)(=O)CS
THIAMINE-PYROPHOSPHATE thiamin diphosphate C12H19N4O7P2S C(c1(c(N)nc(C)nc1))[n+1]2(c(C)c(sc2)CCOP(O)(=O)OP(O)(=O)O)
THIAMINE-P thiamine-phosphate C12H18N4O4PS c1(c(cnc(n1)C)C[n+1]2(c(C)c(sc2)CCOP(=O)(O)O))(N)
THIALYSINE thialysine C5H12N2O2Se C(N)C[Se]C[CH](N)C(O)=O
TETRAHYDROTHIOPHENE-1-OXIDE tetrahydrothiophene 1-oxide C4H8OS C1(S(=O)CCC1) 1600-44-8
TETRAHYDROTHIOPHENE tetrahydrothiophene C4H8S C1(CCCS1) 110-01-0
TDP-FUC4NAC TDP-4-acetamido-4,6-dideoxy-D-galactose C18H29N3O15P2 CC(=O)NC1(C(O)C(O)C(OC1C)OP(=O)(O)OP(=O)(O)OCC2(OC(CC2O)n3(c(=O)[nH]c(=O)c(c3)C)))
TDP-D-FUCOSAMINE TDP-D-fucosamine C16H27N3O14P2 Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(N)C(O3)C)))
TARTRONATE-S-ALD tartronate semialdehyde C3H4O4 C(=O)(O)C(O)C=O 2480-77-5
TARTRATE tartrate C4H6O6 C(=O)(O)[CH](O)[CH](O)C(O)=O
T-POLY-C-UNDECAPRENYL-DIPHOSPHATE di-trans,poly-cis-undecaprenyl diphosphate C55H92O7P2 C(OP(=O)(O)OP(O)(=O)O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
T-POLY-C-DECAPRENYL-DIPHOSPHATE di-trans,poly-cis-decaprenyl diphosphate C50H84O7P2 C(OP(=O)(O)OP(O)(=O)O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
SUCCINYL-OH-CYCLOHEXADIENE-COOH 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate C11H12O6 C(=O)(O)CCC(=O)C1(C(C(O)=O)C(O)C=CC=1)
SUCCINATE-SEMIALDEHYDE-THIAMINE-PPI succinate-semialdehyde-thiamine PPi C16H25N4O10P2S c1(c(c(N)nc(n1)C)C[n+1]2(c(C)c(sc2)CCOP(=O)(O)OP(O)(=O)OC(O)CCC(=O)O))
SUCC-S-ALD succinate semialdehyde C4H6O3 C(=O)(O)CC[CH]=O
SORBITOL sorbitol C6H14O6 C(O)[CH](O)[CH](O)[CH](O)[CH](O)CO 50-70-4
SIROHYDROCHLORIN sirohydrochlorin C42H46N4O16 CC1(CC(O)=O)(C5(N=C(C1CCC(O)=O)C=C2(NC(C(C(C)2CC(O)=O)CCC(O)=O)=CC3(=NC(C(=C3CC(O)=O)CCC(O)=O)=Cc4(c(c(c(n4)C=5)CC(O)=O)CCC(O)=O))))) 65207-12-7
SHIKIMATE-5P shikimate-3-phosphate C7H11O8P C(O)(=O)C1(=[CH][CH]([CH](O)[CH]([CH2]1)O)OP(O)(O)=O)
SHIKIMATE shikimate C7H10O5 C(=O)(O)C1(=[CH][CH](O)[CH](O)[CH](O)[CH2]1) C00493 138-59-0
SERYL-AMP L-Seryl-AMP C13H19N6O9P C(O)C(N)C(=O)OP(=O)(O)OCC1(OC(C(O)C1O)n2(c3(c(nc2)c(N)ncn3)))
SEPO3 selenophosphate H3O3PSe OP(O)(=[Se])O
SELENOLIPOATE selenolipoate NIL
SELENOHOMOCYSTEINE selenohomocysteine C4H8NO2Se C([Se])CC(N)C(O)=O
SELENITE selenite O3Se [Se](=O)([O-1])[O-1]
SELENATE selenate H2O4Se O=[Se](O)(=O)O
SELENALYSINE selenalysine C5H14N2O2Se C(N)C[Se]CC(N)C(O)O
SARCOSINE sarcosine C3H7NO2 C(=O)(O)CNC 107-97-1
S-TUBERCIDINYLHOMOCYSTEINE S-tubercidinylhomocysteine C15H21N5O5S C1(N(c2(c(C=1)c(N)ncn2))C3(OC(C(O)C3O)CSCCC(N)C(O)=O))
S-NITROSOGLUTATHIONE S-nitrosoglutathione NIL
S-LACTOYL-GLUTATHIONE S-lactoyl-glutathione C13H21N3O8S C(O)(=O)C(N)CCC(=O)NC(CSC(=O)C(C)O)C(=O)NCC(=O)O 25138-66-3
S-HYDROXYMETHYLGLUTATHIONE S-hydroxymethylglutathione C11H19N3O7S C(C(O)=O)NC(=O)C(CSCO)NC(=O)CCC(N)C(O)=O
S-FORMYCINYLHOMOCYSTEINE S-formycinylhomocysteine NIL
S-CARBOXYMETHYL-D-CYSTEINE S-carboxymethyl-D-cysteine C5H9NO4S C(C(N)C(O)=O)SCC(=O)O
S-ADENOSYLMETHIONINAMINE S-adenosylmethioninamine C14H23N6O3S C(N)CC[S+1](C)CC1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE S-adenosyl-4-methylthio-2-oxobutanoate C15H20N5O6S C(CC(=O)C(=O)O)[S+1](C)CC1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
S-ACETYLDIHYDROLIPOAMIDE S-acetyldihydrolipoamide C10H19NO2S2 C(S)CC(SC(C)=O)CCCCC(=O)N
S-24-DINITROPHENYLGLUTATHIONE 2,4-dinitrophenyl-S-glutathione C16H21N5O10S C(C(O)=O)NC(=O)C(NC(=O)CCC(N)C(O)=O)CSc1(c([N+1](O)=O)cc([N+1](O)=O)cc1)
RX RX NIL
RIBOSE-15-BISPHOSPHATE ribose-1,5-bisphosphate C5H12O11P2 C(OP(O)(O)=O)[CH]1(O[CH](OP(=O)(O)O)[CH](O)[CH]1O)
RIBITOL D-ribitol C5H12O5 C(O)C(O)C(O)C(O)CO 488-81-3
REDUCED-DMSO dimethyl sulfide C2H6S CSC 75-18-3
R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE R-4'-phosphopantothenoyl-L-cysteine C12H23N2O9PS CC(C)(COP(O)(O)=O)C(O)C(=O)NCCC(=O)NC(C(O)=O)CS
R-2-HYDROXYGLUTARATE (R)-2-hydroxyglutarate C5H8O5 C(=O)(O)CCC(O)C(O)=O 13095-47-1
QUINOLINATE quinolinate C7H5NO4 C(O)(=O)c1(c(C(=O)O)cccn1) 89-00-9
QUEUINE queuine C12H15N5O3 c1(c(c2(c(n1)nc(N)nc2=O))CNC3(C(O)C(O)C=C3))
PYRIDOXINE-5P pyridoxine-5'-phosphate C8H12NO6P c1(c(c(CO)c(O)c(C)n1)COP(=O)(O)O)
PYRIDOXINE pyridoxine C8H11NO3 C(O)c1(c(CO)cnc(C)c(O)1) 65-23-6
PYRIDOXAMINE-5P pyridoxamine 5'-phosphate C8H13N2O5P C(N)c1(c(COP(O)(=O)O)cnc(C)c(O)1)
PYRIDOXAMINE pyridoxamine C8H12N2O2 C(N)c1(c(CO)cnc(C)c1O) 85-87-0
PYRIDOXAL_PHOSPHATE pyridoxal 5'-phosphate C8H10NO6P c1(c(COP(O)(O)=O)c(C=O)c(O)c(C)n1) 54-47-7
PYRIDOXAL pyridoxal C8H9NO3 C(=O)c1(c(CO)cnc(C)c(O)1) 66-72-8
PYRAZOLE pyrazole C3H4N2 c1(ccn[nH]1)
PYRAZINOIC-ACID pyrazinoate C5H4N2O2 C(O)(=O)C1(=CN=CC=N1)
PYRAZINAMIDE pyrazinamide C5H5N3O C(=O)(N)C1(=CN=CC=N1)
PSEUDOURIDINE-5-P pseudouridine 5'-phosphate C9H13N2O9P c1(c(c(=O)[nH]c([nH]1)=O)C2(OC(C(O)C2O)COP(O)(O)=O)) 1157-60-4
PRPP PRPP C5H13O14P3 [CH]1(O[CH]([CH](O)[CH](O)1)COP(=O)(O)O)(OP(=O)(O)OP(O)(O)=O) 13270-65-0
PROPIONYL-P propionyl-P C3H7O5P CCC(=O)OP(O)(=O)O
PROPIONATE propionate C3H6O2 C(=O)(O)CC 79-09-4
PROPANOL n-propanol C3H8O CCCO 71-23-8
PROPANE-1,2-DIOL propane-1,2-diol C3H8O2 C(O)C(O)C C00583 57-55-6
PREPHENATE prephenate C10H10O6 C(=O)(O)C(=O)CC1(C(O)=O)(C=C[CH](O)C=C1) 126-49-8
PRECURSOR-Z precursor-Z C10H13N5O7P C2(=C(C(O)C1(C(O)COP([O-1])(O1)=O))Nc3(c(N2)nc(N)nc3=O))
PORPHOBILINOGEN porphobilinogen C10H14N2O4 c1(c(CCC(O)=O)c(CC(O)=O)c(n1)CN) 487-90-1
POLYPEPTIDE polypeptide NIL
PNPP p-nitrophenyl phosphate C6H6NO6P c1(c(OP(O)(O)=O)ccc(c1)N(=O)=O)
PICOLINATE picolinate C6H5NO2 C(O)(=O)c1(ncccc1) 98-98-6
PHTHALATE phthalate C8H6O4 C(O)(=O)C1(=C(C(=O)O)C=CC=C1) 88-99-3
PHOSPHORIBULOSYL-FORMIMINO-AICAR-P phosphoribulosylformimino-AICAR-P C15H25N5O15P2 C(N)(=O)c1(c(n(cn1)[CH]2(O[CH]([CH](O)[CH](O)2)COP(O)(=O)O))N=CNCC(=O)[CH](O)[CH](O)COP(O)(O)=O)
PHOSPHORIBOSYL-FORMIMINO-AICAR-P phosphoribosylformiminoAICAR-phosphate C15H25N5O15P2 C(OP(=O)(O)O)[CH]1(O[CH]([CH](O)[CH]1O)NC=Nc2(n(cnc2C(=O)N)[CH]3(O[CH]([CH](O)[CH](O)3)COP(=O)(O)O)))
PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE phosphoribosyl-formamido-carboxamide C10H15N4O9P c1(n(cnc(C(N)=O)1)[CH]2(O[CH]([CH](O)[CH]2O)COP(=O)(O)O))(NC=O)
PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE phosphoribosyl-carboxy-aminoimidazole C9H14N3O9P C(OP(O)(=O)O)[CH]1(O[CH]([CH](O)[CH]1O)n2(c(N)c(nc2)C(=O)O))
PHOSPHO-ENOL-PYRUVATE phosphoenolpyruvate C3H5O6P C=C(C(=O)O)OP(O)(=O)O 73-89-2
PHENYLHYDANTOIN phenylhydantoin C9H8N2O2 C1(C(NC(N1)=O)C2(=CC=CC=C2))(=O)
PHENYLGLYOXAL phenylglyoxal C8H6O2 C(=O)C(=O)c1(ccccc1)
PHENYLACETALDEHYDE phenylacetaldehyde C8H8O C(=O)Cc1(ccccc1)
PHENYL-PYRUVATE phenylpyruvate C9H8O3 C(=O)(O)C(=O)Cc1(ccccc1) 156-06-9
PENTACHLOROPHENOL pentachlorophenol C6HOCl5 C1(=C(Cl)C(Cl)=C(O)C(Cl)=C(Cl)1)(Cl)
PAPS PAPS C10H15N5O13P2S [CH]1(O[CH](C(C(O)1)OP(=O)(O)O)COP(O)(=O)OS(O)(=O)=O)n2(c3(c(nc2)c(N)ncn3)) 482-67-7
PAP adenosine 3',5'-bisphosphate C10H15N5O10P2 C(OP(=O)(O)O)[CH]1(O[CH](C(O)C1OP(=O)(O)O)n2(c3(c(nc2)c(N)ncn3)))
PANTOYL-LACTONE pantoyl lactone C6H10O3 C1(C(C)(C)C(O)C(=O)O1) 599-04-2
PANTOTHENATE pantothenate C9H17NO5 CC(C)(CO)C(O)C(=O)NCCC(O)=O 79-83-4
PANTETHEINE-P pantetheine 4'-phosphate C11H23N2O7PS CC(C)(COP(O)(=O)O)C(O)C(=O)NCCC(=O)NCCS
P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE 5'-phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole C13H19N4O12P [CH]1([CH](O)[CH](O)[CH](O1)COP(=O)(O)O)n2(c(N)c(nc2)C(=O)NC(C(O)=O)CC(O)=O)
P-HYDROXYMERCURIBENZOATE p-hydroxymercuribenzoate C7H6O3Hg C(=O)(O)c1(ccc([Hg]O)cc1)
P-HYDROXY-PHENYLPYRUVATE p-hydroxyphenylpyruvate C9H8O4 C(=O)(O)C(=O)Cc1(ccc(O)cc1) 156-39-8
P-AMINO-BENZOATE p-aminobenzoate C7H7NO2 C(=O)(O)c1(ccc(N)cc1)
OXIDIZED-GLUTATHIONE glutathione disulfide C20H32N6O12S2 C(=O)(CCC(N)C(O)=O)NC(C(=O)NCC(O)=O)CSSCC(C(=O)NCC(O)=O)NC(=O)CCC(N)C(=O)O 27025-41-8
OXAMATE oxamate C2H3NO3 C(=O)(N)C(=O)O 471-47-6
OXALATE oxalate C2H2O4 C(O)(=O)C(O)=O 144-62-7
OXALACETIC_ACID oxaloacetate C4H4O5 C(O)(=O)CC(=O)C(=O)O C00036 328-42-7
OROTIDINE-5-PHOSPHATE orotidine-5'-phosphate C10H13N2O11P c1(=O)([nH]c(=O)n(c(c1)C(O)=O)[CH]2(O[CH]([CH](O)[CH]2O)COP(O)(=O)O)) 2149-82-8
OROTATE orotate C5H4N2O4 C(O)(=O)c1([nH]c(=O)[nH]c(c1)=O) 65-86-1
OH-PYR hydroxypyruvate C3H4O4 C(O)(=O)C(=O)CO 1113-60-6
OCTANOL octanol C8H18O CCCCCCCCO 111-87-5
O-SUCCINYLBENZOATE O-succinylbenzoate C11H10O5 C(=O)(O)CCC(=O)c1(c(C(O)=O)cccc1)
O-PHENANTHROLINE o-phenanthroline C12H8N2 c1(nc2(c(cc1)C=Cc3(c2nccc3)))
NICOTINATE_NUCLEOTIDE nicotinate nucleotide C11H15NO9P [CH]2([n+1]1(cc(C(=O)O)ccc1))(O[CH]([CH](O)[CH](O)2)COP(O)(=O)O) 321-02-8
NICOTINAMIDE_NUCLEOTIDE nicotinamide mononucleotide C11H16N2O8P C(OP(O)(O)=O)[CH]1(O[CH]([CH](O)[CH](O)1)[n+1]2(cc(C(N)=O)ccc2)) 1094-61-7
NH4OH NH(4)OH NO [NH3+1]O
NAIR NAIR NIL
N5-METHYLGLUTAMINE N5-methyl-L-glutamine C6H12N2O3 C(=O)(O)C(N)CCC(=O)NC
N3-METHYLCYTOSINE N3-methylcytosine C5H8N3O c1([nH]c(=O)n(C)c(c1)N)
N2-SUCCINYLORNITHINE N2-succinylornithine C9H16N2O5 C(N)CCC(C(=O)O)NC(=O)CCC(=O)O
N2-SUCCINYLGLUTAMIC-SEMIALDEHYDE N2-succinylglutamic-semialdehyde C9H15NO6 C(=O)(O)CCC(=O)NC(C(O)=O)CCCO
N2-SUCCINYLGLUTAMATE N2-succinylglutamate C9H13NO7 C(=O)(O)CCC(=O)NC(C(O)=O)CCC(O)=O
N1-METHYLADENINE N1-methyladenine C6H8N5 c12([nH]cnc(c([NH2])n(C)cn1)2)
n-succinylll-2,6-diaminopimelate N-succinyl-L,L-2,6-diaminopimelate C11H18N2O7 C(O)(=O)C(N)CCCC(C(=O)O)NC(=O)CCC(=O)O 26605-36-7
N-SUCCINYL-2-AMINO-6-KETOPIMELATE N-succinyl-2-amino-6-ketopimelate C11H15NO8 C(O)(=O)C(=O)CCCC(C(=O)O)NC(=O)CCC(=O)O
N-ETHYLMALEIMIDE N-ethylmaleimide C6H7NO2 CCN1(C(=O)C=CC1=O)
N-ALPHA-ACETYLORNITHINE N-α-acetylornithine C7H14N2O3 CC(=O)NC(C(O)=O)CCCN 2185-16-2
N-ACETYLNEURAMINATE N-acetylneuraminate C11H19NO9 C(O)C(O)C(O)[CH]1([CH](NC(=O)C)[CH](O)[CH2]C(O)(O1)C(=O)O) C00270 131-48-6
N-ACETYL-GLUTAMYL-P N-acetylglutamyl-phosphate C7H12NO8P CC(=O)NC(C(O)=O)CCC(=O)OP(O)(O)=O
N-ACETYL-D-MANNOSAMINE-6P N-acetyl-D-mannosamine-6-phosphate C8H16NO9P CC(=O)N[CH]1([CH](O)O[CH]([CH](O)[CH](O)1)COP(O)(=O)O)
N-ACETYL-D-GLUCOSAMINE-1-P N-acetyl-glucosamine-1-phosphate C8H16NO9P CC(=O)NC1(C(OP(O)(O)=O)OC(CO)C(O)C1O)
N-(5-PHOSPHORIBOSYL)-ANTHRANILATE N-(5'-phosphoribosyl)-anthranilate C12H16NO9P [CH]1([CH](O)[CH](O)[CH](O1)COP(O)(O)=O)Nc2(c(C(O)=O)cccc2)
MONOMETHYL-ESTER-OF-TRANS-ACONITATE monomethyl-ester-of-trans-aconitate C7H8O6 C(=O)(O)C=C(C(=O)OC)CC(O)=O
METOH methanol CH4O CO 67-56-1
METHYLMETHANETHIOSULFONATE methylmethanethiosulfonate C2H6O2S2 CSS(=O)(=O)C
METHYL-GLYOXAL methylglyoxal C3H4O2 C(=O)C(C)=O 78-98-8
METHYL-ACETYLPHOSPHONATE methyl-acetylphosphonate C3H6O4NaP CC(=O)P(=O)([O-1])OC
METHIONYL-PEPTIDE methionyl peptide C11H17N4O5R3S NIL
MESO-TARTRATE meso-tartrate C4H6O6 C(=O)(O)[CH](O)[CH](O)C(=O)O C00552 147-73-9
MESO-DIAMINOPIMELATE meso-diaminopimelate C7H14N2O4 C(O)(=O)C(N)CCCC(N)C(=O)O 922-54-3
MENADIOL menadiol C11H10O2 [CH3]c1(c(O)c2(c(c([cH]1)O)[cH][cH][cH][cH]2))
MANNITOL-1P mannitol-1-phosphate C6H15O9P C(OP(O)(=O)O)C(O)C(O)C(O)C(O)CO 15806-48-1
MANNITOL mannitol C6H14O6 C(O)C(O)C(O)C(O)C(O)CO C00392 69-65-8
MALONATE malonate C3H4O4 C(O)(=O)CC(=O)O 141-82-2
MALEATE maleate C4H4O4 C(O)(=O)C=CC(O)=O 110-16-7
LL-DIAMINOPIMELATE L,L-diaminopimelate C7H14N2O4 C(O)(=O)C(N)CCCC(N)C(=O)O 14289-34-0
LIPOYL-AMP lipoyl-AMP C18H26N5O8PS2 C(OP(O)(=O)OC(=O)CCCCC1(CCSS1))C2(OC(C(O)C(O)2)n3(c4(c(nc3)c(N)ncn4)))
LIPOL-AMP lipol-AMP NIL
LIPOAMIDE lipoamide C8H15NOS2 C1(C[CH](SS1)CCCCC(=O)N) C00248 940-69-2
LIPID-IV-A lipid IV(A) C68H130N2O23P2 CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(NC(=O)CC(O)CCCCCCCCCCC)C(C(C(O2)CO)OP(O)(O)=O)OC(=O)CC(O)CCCCCCCCCCC))
LIPID lipid NIL
LACTALD lactaldehyde C3H6O2 C(=O)C(C)O 598-35-6
L-PANTOATE L-pantoate C6H12O4 C(O)C(C)(C)C(O)C(=O)O
L-LACTATE lactate C3H6O3 CC(O)C(O)=O 598-82-3 50-21-5
L-IDONATE L-idonate C6H12O7 C(O)C(O)C(O)C(O)C(O)C(=O)O 1114-17-6
L-HISTIDINOL-P L-histidinol-phosphate C6H12N3O4P c1(c(nc[nH]1)CC(N)COP(O)(O)=O) 25679-93-0
L-GLYCERALDEHYDE L-glyceraldehyde C3H6O3 C(O)C(O)C=O
L-GLUTAMATE-5-P L-glutamate-5-phosphate C5H10NO7P C(=O)(O)C(N)CCC(=O)OP(O)(O)=O
L-DI-GMP linear dimeric GMP NIL
l-delta(1)-pyrroline_5-carboxylate L-Δ1-pyrroline-5-carboxylate C5H7NO2 C1(=NC(C(O)=O)CC1) 2906-39-0
L-CYSTEATE L-cysteate C3H7NO5S C(S(=O)(O)=O)C(N)C(O)=O
L-CYSTATHIONINE cystathionine C7H14N2O4S C(CC(N)C(O)=O)SCC(N)C(=O)O C00542 56-88-2
L-CITRULLINE citrulline C6H13N3O3 C(O)(=O)C(N)CCCNC(=O)N C00327 372-75-8
L-ARGININO-SUCCINATE L-arginino-succinate C10H18N4O6 C(=O)(O)C(N)CCCNC(=N)NC(C(O)=O)CC(O)=O 92117-83-4
L-ARABITOL L-arabitol C5H12O5 C(O)C(O)C(O)C(O)CO C00532 7643-75-6
L-ARA4N-MODIFIED-KDO2-LIPID-A L-Ara4N-modified KDO2-Lipid A C120H220N4O45P2 CCCCCCCCCCCC(O)CC(=O)NC2(C(OP(O)(=O)OC1(C(O)C(O)C(N)CO1))OC(C(O)C2OC(=O)CC(O)CCCCCCCCCCC)COC4(C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(C(OP(=O)(O)OC3(C(O)C(O)C(N)CO3))C(O4)COC5(CC(C(O)C(O5)C(O)CO)OC6(OC(C(O)CO)C(O)C(O)C6)(C(O)=O))(C(O)=O))OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC))
L-ALLO-THREONINE L-allo-threonine C4H9NO3 C(O)(=O)C(N)C(C)O 28954-12-3
L-ALA-GAMMA-D-GLU-DAP L-Ala-γ-D-Glu-Dap C15H26N4O8 CC(N)C(=O)NC(CCC(O)=O)C(=O)NC(C(O)=O)CCCC(N)C(O)=O
L-ALA-GAMMA-D-GLU L-Ala-γ-D-Glu C8H14N2O5 C(C(C)N)(=O)NC(C(O)=O)CCC(=O)O
L-1-GLYCERO-PHOSPHORYLCHOLINE L-1-glycero-3-phosphocholine C8H21NO6P C(O)C(O)COP(=O)(O)OCC[N+1](C)(C)C
KDO2-PALMITOLEOYL-LIPID-IVA KDO2-(palmitoleoyl)-lipid IVA C100H182N2O38P2 CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(C(OC(=O)CC(O)CCCCCCCCCCC)C(OP(O)(O)=O)C(O2)COC3(CC(C(O)C(O3)C(O)CO)OC4(OC(C(O)CO)C(O)C(O)C4)(C(O)=O))(C(O)=O))NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCC))
KDO2-LIPID-IVA-COLD KDO2-lipid A, cold adapted C114H208N2O39P2 CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(C(C(OP(O)(O)=O)C(O2)COC3(CC(C(O)C(O3)C(O)CO)OC4(OC(C(O)CO)C(O)C(O)C4)(C(O)=O))(C(O)=O))OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCC))
KDO2-LIPID-IVA KDO2-lipid IVA C84H154N2O37P2 CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(OP(O)(O)=O)C(O2)COC3(CC(C(O)C(O3)C(O)CO)OC4(OC(C(O)CO)C(O)C(O)C4)(C(O)=O))(C(O)=O)))
KDO2-LAUROYL-LIPID-IVA KDO2-(lauroyl)-lipid IVA C96H176N2O38P2 CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(OP(O)(O)=O)C(O2)COC3(CC(C(O)C(O3)C(O)CO)OC4(OC(C(O)CO)C(O)C(O)C4)(C(O)=O))(C(O)=O)))
KDO-LIPID-IVA (KDO)-lipid IV(A) C76H142N2O30P2 CCCCCCCCCCCC(O)CC(=O)NC1(C(OC(=O)CC(O)CCCCCCCCCCC)C(O)C(OC1OP(O)(O)=O)COC2(C(NC(=O)CC(O)CCCCCCCCCCC)C(C(OP(O)(O)=O)C(O2)COC3(OC(C(O)C(C3)O)C(O)CO)(C(O)=O))OC(=O)CC(O)CCCCCCCCCCC))
KDO-8P 3-deoxy-D-manno-octulosonate 8-P C8H15O11P C(OP(O)(O)=O)C(O)C(O)C(O)C(O)CC(=O)C(O)=O
KDO 3-deoxy-D-manno-octulosonate C8H14O8 C(O)(=O)C(=O)CC(O)C(O)C(O)C(O)CO
ITACONATE itaconate C5H6O4 C(O)(=O)CC(=C)C(O)=O 97-65-4
ISOCHORISMATE isochorismate C10H10O6 C(O)(=O)C1(C(O)C(C=CC=1)OC(=C)C(=O)O) 22642-82-6
IODOACETATE iodoacetate C2H2O2I C(I)C([O-1])=O
INDOLE_PYRUVATE indole-3-pyruvate C11H9NO3 C(O)(=O)C(=O)Cc2(c[nH]c1(ccccc12)) 35656-49-6
INDOLE-3-GLYCEROL-P indole-3-glycerol-phosphate C11H14NO6P C(OP(=O)(O)O)C(O)C(O)c1(c2(c([nH]c1)cccc2))
INDOLE indole C8H7N c1([nH]c2(c(c1)cccc2)) 120-72-9
IMINOASPARTATE iminoaspartate C4H5NO4 C(=O)(O)C(=N)CC(O)=O
IMIDAZOLE-PYRUVATE imidazole-pyruvate C6H6N2O3 C(=O)(O)C(=O)Cc1(c[nH]cn1)
IMIDAZOLE-LACTATE imidazole-lactate C6H8N2O3 c1(c(nc[nH]1)C[CH](O)C(O)=O)
IMIDAZOLE-ACETOL-P imidazole acetol-phosphate C6H9N2O5P c1(c(nc[nH]1)CC(=O)COP(=O)(O)O) 99979-59-6
HYDRPHENYLAC-CPD (4-hydroxyphenyl)acetaldehyde C8H8O2 [CH](=O)Cc1(ccc(O)cc1)
HYDROXYPYRIDINE-N-OXIDE hydroxypyridine N-oxide C5H6NO2 c1([n+1](O)cc(O)cc1)
HYDROXYMETHYLBILANE hydroxymethylbilane C40H46N4O17 C(O)c1([nH]c(c(CCC(=O)O)c1CC(O)=O)Cc2([nH]c(c(c2CC(=O)O)CCC(O)=O)Cc3([nH]c(c(CCC(=O)O)c3CC(O)=O)Cc4(c(CC(=O)O)c(c[nH]4)CCC(=O)O)))) 73023-76-4
HYDROXYMALONATE hydroxymalonate C3H4O5 C(O)(=O)C(O)C(=O)O 80-69-3
HYDROXYLAMINE hydroxylamine H3NO NO 7803-49-8
HYDROXY-METHYL-BUTENYL-DIP 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate C5H12O8P2 CC(CO)=CCOP(=O)(O)OP(=O)(O)O
HYDROGEN-PEROXIDE H2O2 H2O2 OO 7722-84-1
HYDROGEN-MOLECULE H2 H2 [HH] 1333-74-0
HYDRAZINE hydrazine H4N2 NN
HX HX NIL
HSCN thiocyanate CHNS C([SH])#N
HS H2S H2S [SH2]
HMP hydroxymethylpyrimidine C6H9N3O c1(c(CO)c(N)nc(C)n1) 73-67-6
HISTIDINOL histidinol C6H11N3O c1(c(nc[nH]1)CC(N)CO) 501-28-0
HISTIDINAL histidinal C6H9N3O c1(c(nc[nH]1)C[CH](N)C=O)
HCL HCl HCl [ClH]
H2CO3 H2CO3 CH2O3 C(=O)(O)O 463-79-6
GMP-LYSINE GMP-lysine NIL
GLYOX glyoxylate C2H2O3 C(=O)(O)[CH]=O 298-12-4
GLYCOLLATE glycolate C2H4O3 C(=O)(O)CO C00160 79-14-1
GLYCOLALDEHYDE glycolaldehyde C2H4O2 C(O)C=O 141-46-8
GLYCEROL-3P glycerol-3-phosphate C3H9O6P C(O)C(O)COP(O)(O)=O 57-03-4
GLYCEROL glycerol C3H8O3 C(O)C(O)CO C00116 56-81-5
GLUTATHIONYLSPERMIDINE glutathionylspermidine C17H34N6O5S C(=O)(O)C(N)CCC(=O)NC(CS)C(=O)NCC(=O)NCCCNCCCCN
GLUTATHIONE glutathione C10H17N3O6S C(=O)(O)C(N)CCC(=O)NC(CS)C(=O)NCC(O)=O 70-18-8
GLUTARATE glutarate C5H8O4 C(=O)(O)CCCC(=O)O
GLUTAMATE-1-SEMIALDEHYDE glutamate-1-semialdehyde C5H9NO3 [CH](=O)C(N)CCC(=O)O
GLUCURONATE glucuronate C6H10O7 C(=O)(O)C1(C(O)C(O)C(O)C(O1)O) 576-37-4
GLUCOSAMINE-1P glucosamine-1P C6H14NO8P [CH]1(O[CH](CO)[CH](O)[CH](O)[CH](N)1)(OP(O)(=O)O)
GLUCONATE gluconate C6H12O7 C(O)(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO 526-95-4
GLOBOMYCIN globomycin C33H59N5O9 CCCCCCC1(C(C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CO)CC(=O)NC(C(O)C)C(=O)NCC(O1)=O)
GLCNAC-PP-LIPID undecaprenyl-N-acetyl-α-D-glucosaminyl-pyrophosphate C63H105NO12P2 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O[CH]1([CH](NC(=O)C)[CH](O)[CH](O)[CH](O1)CO)
GLC-D-LACTONE glucono-δ-lactone C6H10O6 C1(OC(CO)C(O)C(O)C(O)1)(=O) 90-80-2
GERANYL-PP geranyl-PP C10H20O7P2 C(OP(O)(=O)OP(O)(O)=O)C=C(C)CCC=C(C)C
GAP D-glyceraldehyde-3-phosphate C3H7O6P C(=O)[CH](O)COP(O)(O)=O 142-10-9
GAMMA-GLUTAMYL-PUTRESCINE γ-glutamylputrescine NIL
GAMMA-GLUTAMYL-GAMMA-AMINOBUTYRATE γ-glutamyl-γ-aminobutyrate NIL
GAMMA-GLUTAMYL-GAMMA-AMINOBUTYRALDEH γ-glutamyl-γ-aminobutyraldehyde NIL
GALACTITOL-1-PHOSPHATE galactitol-1-phosphate C6H15O9P C(O)C(O)C(O)C(O)C(O)COP(O)(O)=O
FRUCTURONATE fructuronate C6H10O7 C(O)C1(O)(C(O)C(O)C(O1)C(O)=O)
FRUCTOSEGLYCINE fructoseglycine NIL
FORMYL-L-METHIONYL-PEPTIDE formyl-L-methionyl peptide C12H17N4O6R3S NIL
FORMYCIN-A formycin A C10H15N5O4 C(O)C1(OC(C(O)C1O)C2(c3(c(NN2)c(N)ncn3)))
FORMATE formate CH2O2 [CH](=O)O 64-18-6
FORMAMIDE formamide CH3NO [CH](=O)N C00488 75-12-7
FORMALDEHYDE formaldehyde CH2O [CH2]=O 50-00-0
FMPP FMPP NIL
FARNESYLFARNESYLGERANYL-PP farnesylfarnesylgeranyl-PP C40H68O7P2 CC(CCC=C(C)CCC=C(C)CCC=C(C)C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(=O)(O)O
FARNESYLFARNESYLGERANIOL farnesylfarnesylgeraniol C40H66O CC(CCC=C(C)C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO
ETOH ethanol C2H6O C(C)[OH] 64-17-5
ETHYLACETIMIDATE ethylacetimidate C4H9NO CCOC(=N)C
ETHYL-ACETOACETATE ethyl-acetoacetate C6H10O3 CCOC(=O)CC(=O)C
ETHYL-2R-METHYL-3S-HYDROXYBUTANOATE ethyl-(2R)-methyl-(3S)-hydroxybutanoate C7H14O3 CCOC(=O)C(C)C(O)C
ETHYL-2-METHYLACETOACETATE ethyl-2-methylacetoacetate C7H12O3 CCOC(=O)C(C)C(=O)C
ETHANOL-AMINE ethanolamine C2H7NO C(O)CN C00189 141-43-5
EGTA EGTA C14H24N2O10 C(=O)(O)CN(CC(O)=O)CCOCCOCCN(CC(O)=O)CC(O)=O
DMSO dimethyl sulfoxide C2H6OS CS(C)=O
DIOH-ISOVALERATE 2,3-dihydroxy-isovalerate C5H10O4 CC(C)(O)C(O)C(O)=O
DIMETHYLSUBERIMIDATE dimethylsuberimidate C10H20N2O2 C(=N)(OC)CCCCCCC(=N)OC
DIMETHYLBENZIMIDAZOLE dimethylbenzimidazole C9H10N2 Cc1(c(C)cc2(c(c1)nc[nH]2)) 582-60-5
DIMETHYL-D-RIBITYL-LUMAZINE 6,7-dimethyl-8-(1-D-ribityl)lumazine C13H18N4O6 CC1(N(CC(O)C(O)C(O)CO)C2(C(=NC(C)=1)C(=O)NC(N=2)=O))
DIHYDROXYNAPHTHOATE 1,4-dihydroxy-2-naphthoate C11H8O4 C(=O)(O)c1(c(O)c2(c(c(O)c1)cccc2))
DIHYDROXYACETONE dihydroxy-acetone C3H6O3 C(O)C(=O)CO C00184 96-26-4
DIHYDROXY-BUTANONE-P 3,4-dihydroxy-2-butanone-4-P C4H9O6P CC(=O)C(O)COP(O)(O)=O
DIHYDROXY-ACETONE-PHOSPHATE dihydroxy-acetone-phosphate C3H7O6P C(O)C(=O)COP(O)(=O)O 57-04-5
DIHYDROSIROHYDROCHLORIN dihydrosirohydrochlorin C42H48N4O16 CC1(C5(=NC(C1CCC(O)=O)=Cc2(nc(c(CCC(O)=O)c2CC(=O)O)Cc3(nc(c(CC(O)=O)c3CCC(O)=O)C=C4(C(CC(O)=O)(C)C(C(N4)=C5)CCC(=O)O)))))(CC(O)=O)
DIHYDROPTERIN-CH2OH-PP 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine diphosphate C7H11N5O8P2 C2(C(COP(O)(=O)OP(O)(=O)O)=Nc1(c(O)nc(N)nc1N2))
DIHYDRONEOPTERIN-P3 dihydroneopterin triphosphate C9H16N5O13P3 C2(C(=Nc1(c(=O)[nH]c(N)nc1N2))C(O)C(O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O)
DIHYDRONEOPTERIN-P dihydroneopterin phosphate C9H14N5O7P C2(C(C(O)C(O)COP(O)(O)=O)=Nc1(c(=O)[nH]c(N)nc1N2))
DIHYDROMONAPTERIN-TRIPHOSPHATE dihydromonapterin-triphosphate C9H16N5O13P3 C2(C(=Nc1(c(=O)nc(N)nc1N2))C(O)C(O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O)
DIHYDROLIPOAMIDE dihydrolipoamide C8H17NOS2 C(S)C[CH](S)CCCCC(=O)N
DIHYDRO-NEO-PTERIN dihydro-neo-pterin C9H13N5O4 C(O)C(O)C(O)C1(=Nc2(c(NC1)nc(N)[nH]c2=O))
DIHYDRO-DIOH-BENZOATE 2,3-dihydro-2,3-dihydroxybenzoate C7H8O4 C(O)(=O)C1(C(O)C(O)C=CC=1)
DIGLUCODIACETYL-DOCOSANOATE 13-sophorosyloxydocosanoate 6',6"-diacetate C38H68O15 CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1(C(C(O)C(O)C(O1)COC(C)=O)OC2(OC(COC(=O)C)C(O)C(O)C(O)2))
DIGLUCOACETYL-DOCOSANOATE 13-[O(2')-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate O(6")-acetate C36H66O14 CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1(C(C(O)C(O)C(O1)CO)OC2(OC(COC(=O)C)C(O)C(O)C(O)2))
DIGLUCO-DOCOSANOATE 13-[O(2')-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate C34H64O13 CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1(C(C(O)C(O)C(O1)CO)OC2(C(O)C(O)C(O)C(O2)CO))
DICOUMAROL dicoumarol C19H12O6 c1(c(c(O)c2(c(o1)cccc2))Cc3(c(=O)oc4(c(c(O)3)cccc4)))(=O) 66-76-2
DIAMINONONANOATE 7,8-diaminononanoate C9H20N2O2 CC(N)C(N)CCCCCC(=O)O
DIAMINO-OH-PHOSPHORIBOSYLAMINO-PYR 2,5-diamino-6-(ribosylamino)-4-(3H)-pyrimidinone 5'-phosphate C9H16N5O8P c1(=O)(c(N)c(nc([nH]1)N)NC2(OC(C(O)C2O)COP(O)(O)=O))
DIACETYLCHITOBIOSE-6-PHOSPHATE diacetylchitobiose-6-phosphate NIL
DIACETYL diacetyl C4H6O2 CC(=O)C(=O)C 431-03-8
DI-H-OROTATE dihydroorotate C5H6N2O4 C1(=O)(CC(C(O)=O)NC(N1)=O) 155-54-4
DETHIOBIOTIN dethiobiotin C10H18N2O3 C(=O)(O)CCCCCC1(C(C)NC(N1)=O) 533-48-2
DEOXYMORPHOLINOFRUCTOSE deoxymorpholinofructose NIL
DELTA{1}-PIPERIDEINE-2-6-DICARBOXYLATE L-2,3,4,5-tetrahydrodipicolinate C7H9NO4 C(O)(=O)C1(=NC(C(=O)O)CCC1)
delta(3)-isopentenyl-pp Δ3-isopentenyl-PP C5H12O7P2 CC(=C)CCOP(O)(=O)OP(O)(=O)O 358-71-4
DEHYDROQUINATE 3-dehydroquinate C7H10O6 C(O)(=O)C1([CH2]C(=O)[CH](O)[CH]([CH2]1)O)(O) 10534-44-8
DEHYDRO-DEOXY-GALACTONATE-PHOSPHATE 2-dehydro-3-deoxy-D-galactonate-6-phosphate C6H11O9P C(OP(O)(O)=O)[CH](O)[CH](O)[CH2]C(=O)C(=O)O 32120-43-7
DEAMIDO-NAD deamido-NAD C21H27N6O15P2 C(O)(=O)c1(c[n+1](ccc1)[CH]2(O[CH]([CH](O)[CH](O)2)COP(=O)(O)OP(O)(=O)OC[CH]3(O[CH]([CH](O)[CH]3O)n4(c5(c(nc4)c(N)ncn5))))) 6450-77-7
DE-O-K-GLUCONATE 3-dehydro-2-deoxy-D-gluconate C6H10O6 C(O)(=O)CC(=O)C(O)C(O)CO 91446-99-0
DE-O-GLUCONATE 2-deoxygluconate C6H12O6 C(O)[CH](O)[CH](O)[CH](O)CC(=O)O 3442-69-1
D-TYROSINE D-tyrosine C9H11NO3 C(=O)(O)C(N)Cc1(ccc(O)cc1)
D-TRP-TRNATRP D-tryptophanyl-tRNATrp NIL
D-TAGATURONATE D-tagaturonate C6H10O7 C(O)(=O)[CH](O)[CH](O)[CH](O)C(=O)CO
D-SORBITOL-6-P D-sorbitol 6-phosphate C6H15O9P C(O)C(O)C(O)C(O)C(O)COP(O)(=O)O 108392-12-7
D-SERINE D-serine C3H7NO3 C(O)C(N)C(=O)O C00740 312-84-5
D-LACTATE D-lactate C3H6O3 C(O)(=O)[CH](O)C 10326-41-7
D-GLUCOSAMINE-6-P D-glucosamine-6-phosphate C6H14NO8P C(OP(O)(O)=O)C1(C(O)C(O)C(N)C(O1)O) 3616-42-0
D-GLUCARATE D-glucarate C6H10O8 C(=O)(O)C(O)C(O)C(O)C(O)C(O)=O 576-42-1
D-GALACTURONATE galacturonate C6H10O7 C1(OC(C(=O)O)C(O)C(O)C(O)1)(O) 685-73-4
D-GALACTONO-1,4-LACTONE D-galactono-1,4-lactone C6H10O6 C1(OC(C(O)CO)C(O)C(O)1)(=O) 2782-07-2
D-GALACTONATE D-galactonate C6H12O7 C(O)[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
D-GALACTARATE D-galactarate C6H10O8 C(=O)(O)C(O)C(O)C(O)C(O)C(O)=O C01807 526-99-8
D-ERYTHRO-IMIDAZOLE-GLYCEROL-P D-erythro-imidazole-glycerol-phosphate C6H11N2O6P C(OP(O)(=O)O)C(O)C(O)c1(c[nH]cn1)
D-ALTRONATE D-altronate C6H12O7 C(=O)(O)[CH](O)[CH](O)[CH](O)[CH](O)CO
D-6-P-GLUCONO-DELTA-LACTONE D-glucono-δ-lactone-6-phosphate C6H11O9P C(OP(O)(=O)O)[CH]1([CH](O)[CH](O)[CH](O)C(=O)O1) 2641-81-8
D-4-HYDROXY-2-KETO-GLUTARATE D-4-hydroxy-2-keto-glutarate C5H6O6 C(O)(=O)C(O)CC(=O)C(=O)O 1187-99-1
CROTONO-BETAINE crotono-betaine C7H13NO2 C([N+1](C)(C)C)C=CC(=O)[O-1]
CREATINE-P creatine-phosphate C4H10N3O5P C(=O)(O)CN(C)C(=N)NP(O)(O)=O 67-07-2
CPD1G-159 monobromobimane C10H11N2O2Br c1(n2(n(c(C)c(C)1)c(CBr)c(C)c(=O)2))(=O)
CPD0-341 S-succinyl-dihydrolipoamide C12H21NO4S2 C(S)CC(CCCCC(=O)N)SC(=O)CCC(O)=O
CPD0-181 N5-carboxyaminoimidazole ribonucleotide C9H13N3O9P C(OP(O)(O)=O)C1(OC(C(O)C1O)n2(c(N)c(C([O-1])=O)nc2))
CPD-884 6-aminohexanoate C6H13NO2 C(N)CCCCC(O)=O 564 564
CPD-78 4-diphosphocytidyl-2-C-methylerythritol 2-phosphate C14H26N3O17P3 c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)OP(O)(=O)OCC(O)C(CO)(C)OP(O)(=O)O))
CPD-77 4-diphosphocytidyl-2-C-methylerythritol C14H25N3O14P2 c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)OP(O)(=O)OCC(O)C(O)(C)CO))
CPD-764 phosphonoacetate C2H5O5P C(O)(=O)CP(=O)(O)O
CPD-763 arsenite H2O3As O[As]([O-1])O
CPD-722 d-biotin d-sulfoxide C10H16N2O4S C1(S(=O)C([CH]2([CH]1NC(N2)=O))CCCCC(O)=O)
CPD-703 4-nitrobenzaldehyde C7H5NO3 C(=O)C1(=CC=C([N+1]([O-1])=O)C=C1) 555-16-8
CPD-69 cyanate CHNO C(#N)O 420-05-3
CPD-68 1-aminocyclopropane-1-carboxylate C4H7NO2 C(O)(=O)C1(CC1)(N) 22059-21-8
CPD-678 selenide H2Se [SeH2]
CPD-67 2-phosphoglycolate C2H5O6P C(C(=O)O)OP(=O)(O)O C00988
CPD-665 propanal C3H6O CC[CH]=O 123-38-6
CPD-660 (R)-malate C4H6O5 C(O)(=O)CC(O)C(=O)O 636-61-3
CPD-66 2-hydroxy-3-oxosuccinate C4H4O6 C(O)(=O)C(O)C(=O)C(=O)O
CPD-656 5-oxo-D-proline C5H7NO3 C1(NC(C(O)=O)CC1)(=O) 4042-36-8
CPD-622 2-methylcitrate C7H10O7 CC(C(O)=O)C(O)(C(O)=O)CC(O)=O
CPD-62 (2,3-dihydroxybenzoyl)adenylate C17H18N5O10P C(OP(=O)(O)OC(=O)c1(c(O)c(O)ccc1))C2(OC(C(O)C2O)n3(c4(c(nc3)c(N)ncn4)))
CPD-618 methylisocitrate C7H10O7 CC(C(=O)O)(O)C(C(=O)O)CC(=O)O
CPD-607 adenosine tetraphosphate C10H17N5O16P4 c1(c2(c(ncn1)n(cn2)C3(OC(C(O)C(O)3)COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)O)))(N) 58337-43-2
CPD-605 lumichrome C12H10N4O2 c12(c(C(=O)NC(=O)N1)nc3(c(n2)cc(C)c(C)c3)) 1086-80-2
CPD-6041 methotrexate C20H22N8O5 C(O)(=O)CCC(C(O)=O)NC(=O)c1(ccc(cc1)N(C)Cc2(nc3(c(nc2)N=C(N)N=C3N)))
CPD-602 5-amino-6-(5'-phosphoribosylamino)uracil C9H15N4O9P C(OP(O)(O)=O)C1(OC(C(O)C1O)Nc2(c(N)c(=O)[nH]c([nH]2)=O))
CPD-582 molybdopterin guanine dinucleotide C20H24N10O13P2S2 c1(c(nc2(c(n1)N=C(N)[NH]C2=O))C(S)=C(S)C(O)COP(=O)(O)OP(=O)(O)OCC3(OC(C(O)C3O)n4(c5(c(nc4)c(=O)[nH]c(n5)N))))
CPD-561 S-D-ribosyl-L-homocysteine C9H17NO6S C(O)(=O)C(N)CCSCC1(C(O)C(O)C(O)O1)
CPD-551 phosphonoacetaldehyde C2H5O4P C(P(O)(=O)O)[CH]=O
CPD-548 S-formylglutathione C11H17N3O7S C(CCC(N)C(=O)O)(=O)NC(CS[CH]=O)C(=O)NCC(=O)O
CPD-546 methylmalonate C4H6O4 C(O)(=O)C(C)C(O)=O 516-05-2
CPD-511 pantetheine C11H22N2O4S CC(C)(CO)C(O)C(=O)NCCC(=O)NCCS 496-65-1
CPD-4841 dipicolinate C7H5NO4 C(=O)(O)c1(nc(C(O)=O)ccc1)
CPD-4584 vanadate O3V O=[V]([O-1])=O
CPD-448 β-D-Glucose 1-phosphate C6H13O9P C1(C(O)C(O)C(O)C(O1)CO)(OP(O)(=O)O)
CPD-4422 chromate O4Cr O=[Cr]([O-1])([O-1])=O
CPD-4211 dimethylallyl-pyrophosphate C5H12O7P2 C(C=C(C)C)OP(O)(=O)OP(O)(=O)O 358-72-5 358-71-4
CPD-421 N2-succinyl-L-arginine C10H18N4O5 C(=O)(CCC(=O)O)NC(C(O)=O)CCCNC(N)=N
CPD-397 S-Methyl-L-methionine C6H14NO2S C(=O)(O)C(N)CC[S+1](C)C 4727-40-6
CPD-389 oxalureate C3H4N2O4 C(=O)(C(=O)O)NC(N)=O 585-05-7
CPD-378 D-Sorbitol C6H14O6 C(O)C(O)C(O)C(O)C(O)CO C00794 50-70-4
CPD-377 2-dehydro-D-gluconate C6H10O7 C(=O)(O)C(=O)C(O)C(O)C(O)CO
CPD-3766 menadione C11H8O2 [CH3]C1(C(=O)c2(c(C(=O)[CH]=1)[cH][cH][cH][cH]2)) 4055
CPD-3722 O-phospho-D-serine NIL
CPD-2961 6-phospho-D-gluconate C6H13O10P C(OP(O)(O)=O)[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O 921-62-0
CPD-296 dihydrolipoate C8H16O2S2 C(S)CC(S)CCCCC(O)=O 462-20-4
CPD-2841 sodium azide N3Na N#N=[N-1] 26628-22-8
CPD-249 sulfur donor S 7704-34-9
CPD-2482 D-cycloserine C3H6N2O2 C1(C(N)CON1)(=O) 68-41-7
CPD-2343 3-keto-L-gulonate 6-phosphate C6H11O10P C(=O)(O)C(O)C(=O)C(O)C(O)COP(O)(=O)O
CPD-225 trans-aconitate C6H6O6 C(O)(=O)[CH]=C(C(=O)O)CC(=O)O 4023-65-8
CPD-205 6-carboxyhexanoate C7H12O4 C(O)(=O)CCCCCC(=O)O
CPD-195 octanoate C8H16O2 C(O)(=O)CCCCCCC 124-07-2
CPD-1831 acetylenedicarboxylate C4H2O4 C(O)(=O)C#CC(O)=O
CPD-183 gallate C7H6O5 C(O)(=O)c1(cc(O)c(O)c(O)c1) 149-91-7
CPD-1782 2,3-diaminopropionate C3H8N2O2 C(N)C(N)C(O)=O
CPD-1772 aminoacetaldehyde C2H5NO C(N)C=O
CPD-1136 2-methyl-cis-aconitate C7H8O6 C(O)(=O)CC(C(=O)O)=C(C)C(=O)O
CPD-110 salicylate C7H6O3 C(O)(=O)c1(c(O)cccc1) 69-72-7
CPD-1091 (S)-ureidoglycolate C3H6N2O4 C(C(=O)O)(O)NC(N)=O 2017665
CPD-1086 5-amino-6-(5'-phosphoribitylamino)uracil C9H17N4O9P C(C(O)C(O)C(O)COP(O)(O)=O)Nc1(c(N)c(=O)[nH]c([nH]1)=O)
COUMARATE 4-coumarate C9H8O3 C(O)(=O)C=Cc1(ccc(O)cc1) 7400-08-0
COPROPORPHYRINOGEN_III coproporphyrinogen III C36H44N4O8 Cc5(c(CCC(=O)O)c4(Cc1(nc(c(C)c1CCC(=O)O)Cc2(nc(c(c2C)CCC(=O)O)Cc3(c(C)c(c(n3)Cc(n4)5)CCC(O)=O))))) 2624-63-7
COFORMYCIN coformycin C11H16N4O5 C1(OC(CO)C(O)C(O)1)N2(C3(=C(N=C2)C(O)CNC=N3)) 11033-22-0
COBINAMIDE cobinamide C48H72N11O8Co CC3(C6(N2([Co+2]48(N1(=C(C(CCC(N)=O)C(C)(C)C1=CC=2C3CCC(N)=O)C(C)=C7(N([CH](C5(C(CC(N)=O)(C)C(C(=N45)C=6C)CCC(=O)N)(C))C(CC(N)=O)C7(C)CCC(=O)NC[CH](C)O)8))))))(CC(N)=O)
COA-OXALATE CoA-oxalate C23H36N7O19P3S CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(O)=O)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)n2(c3(c(nc2)c(N)ncn3)))
CMP-KDO CMP-3-deoxy-D-manno-octulosonate C17H26N3O15P C(O)(=O)C(=O)CC(O)C(O)C(O)C(O)COP(=O)(O)OCC1(OC(C(O)C(O)1)n2(c(=O)nc(N)cc2))
CIT citrate C6H8O7 C(=O)(O)CC(C(O)=O)(O)CC(O)=O 77-92-9
CIS-ACONITATE cis-aconitate C6H6O6 C(=O)(O)CC(C(=O)O)=CC(O)=O 585-84-2
CHORISMATE chorismate C10H10O6 C=C(C(O)=O)OC1(C(O)C=CC(=C1)C(O)=O) C00251 617-12-9
CHOLINE choline C5H14NO C(O)C[N+1](C)(C)C 62-49-7
CHOLANATE2 3-α,12-α-dihydroxy-7-oxo-5-β-cholanate C24H38O5 C[CH](CCC(=O)O)C1(C2([CH](CC1)[CH]3([CH](CC(O)2)C4([CH](CC(=O)3)CC(O)CC4)(C)))(C))
CHLOROACETALDEHYDE chloroacetaldehyde NIL
CARDIOLIPIN cardiolipin C13H20O17R4P2 NIL
CARBOXYMETHOXYLAMINE carboxymethoxylamine C2H4NO3 C([O-1])(=O)CON 645-88-5
CARBOXYETHYL-3-5-CYCLOHEXADIENE-1-2-DIOL cis-3-(carboxyethyl)-3,5-cyclohexadiene-1,2-diol C9H12O4 C(=O)(O)CCC1(C(O)C(O)C=CC=1)
CARBON-MONOXIDE CO CO [C-1]#[O+1] 630-08-0
CARBON-DIOXIDE CO2 CO2 C(=O)=O 124-38-9
CARBAMOYL-P carbamoyl-phosphate CH4NO5P C(N)(=O)OP(=O)(O)O 590-55-6
CARBAMATE carbamate CH2NO2 C([O-1])(N)=O
CAPSAICIN capsaicin NIL
CANAVANINE canavanine C5H12N4O3 C(ONC(N)=N)CC(N)C(O)=O 543-38-4
CADAVERINE cadaverine C5H14N2 C(N)CCCCN 462-94-2
C6 undecaprenyl-pyrophosphoryl-MurNAc-(pentapeptide)-N-acetylglucosamine C95H156N8O28P2 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1(C(NC(=O)C)C(C(C(O1)CO)OC2(C(NC(=O)C)C(O)C(O)C(O2)CO))OC(C)C(=O)NC(C)C(=O)NC(C(O)=O)CCC(=O)NC(CCCC(N)C(O)=O)C(=O)NC(C)C(=O)NC(C)C(O)=O)
C55-PP-GLCNAC-MANNACA-FUC4NAC undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4,6-dideoxy-D-galactose pyrophosphate C79H129N3O22P2 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1(C(NC(=O)C)C(O)C(C(O1)CO)OC2(C(NC(=O)C)C(O)C(C(O2)C(O)=O)OC3(C(O)C(O)C(C(O3)C)NC(=O)C)))
C55-PP-GLCNAC-MANNACA undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate C71H116N2O18P2 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1(C(NC(=O)C)C(O)C(C(O1)CO)OC2(C(NC(=O)C)C(O)C(O)C(O2)C(O)=O))
C5 N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptane- D-alanyl-D-alanine-diphosphoundecaprenol C87H143N7O23P2 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1(C(NC(=O)C)C(C(O)C(O1)CO)OC(C)C(=O)NC(C)C(=O)NC(C(O)=O)CCC(=O)NC(CCCC(N)C(O)=O)C(=O)NC(C)C(=O)NC(C)C(O)=O)
C4 N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl- D-alanyl-D-alanine-diphosphoundecaprenol C86H143N7O21P2 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1(C(NC(=O)C)C(C(O)C(O1)CO)OC(C)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(O)=O)
C-DI-GMP cyclic bis(3' -> 5') dimeric GMP NIL
BUTYRIC_ACID butyrate C4H8O2 C(=O)(O)CCC 107-92-6
BRIJ97 Brij 97 NIL
BISOHMYR-GLUCOSAMINYL-1P 2,3-bis(3-hydroxymyristoyl)-β-D-glucosaminyl 1-phosphate C34H66NO12P CCCCCCCCCCCC(O)CC(=O)NC1(C(C(O)C(CO)OC1OP(O)(O)=O)OC(=O)CC(O)CCCCCCCCCCC)
BISOHMYR-GLC lipid A disaccharide C68H129N2O20P CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(NC(=O)CC(O)CCCCCCCCCCC)C(C(O)C(O2)CO)OC(=O)CC(O)CCCCCCCCCCC))
BIS-P-NITROPHENOLPHOSPHATE bis(p-nitrophenyl) phosphate C12H11N2O8P c1(cc(ccc1N(=O)O)OP(O)(=O)Oc2(ccc(cc2)N(O)=O))
BIO-5-AMP bio-5'-AMP C20H28N7O9PS [CH2]2(S[CH]([CH]1([NH]C(=O)[NH][CH]12))[CH2][CH2][CH2][CH2]C(=O)OP([OH])(=O)O[CH2][CH]3(O[CH]([CH]([OH])[CH]([OH])3)N4(c5(c(N=[CH]4)c([NH2])n[cH]n5))))
BH4NA NaBH4 NIL
BETAINE_ALDEHYDE betaine aldehyde C5H12NO C(=O)CN(C)(C)C 7418-61-3
BETAINE glycine betaine C5H11NO2 C([O-1])(=O)C[N+1](C)(C)C 107-43-7
BETA-HYDROXY-DL-ASPARTATE β-hydroxy-D,L-aspartate NIL
BACIMETHRIN bacimethrin C6H9N3O2 c1(c(CO)c(N)nc(n1)OC)
ATABRINE atabrine C23H30N3OCl CCN(CC)CCCC(C)Nc2(c1(c(ccc(c1)OC)nc3(cc(Cl)ccc23))) 83-89-6
APS APS C10H14N5O10PS C(OP(=O)(O)OS(=O)(O)=O)[CH]1(O[CH](C(O)C1O)N2(c3(c(N=C2)c(N)ncn3))) 485-84-7
ANTHRANILATE anthranilate C7H7NO2 C(=O)(O)c1(c(N)cccc1) 118-92-3
AMP-NH2 AMP-NH2 NIL
AMP-MOR AMP-Mor NIL
AMP-LYSINE AMP-lysine NIL
AMMONIA NH3 H3N [NH3] 7664-41-7
AMINO-RIBOSYLAMINO-1H-3H-PYR-DIONE 5-amino-6-ribitylamino-2,4(1H,3H)-pyrimidinedione C9H16N4O6 C(O)C(O)C(O)C(O)CNc1(c(N)c(=O)[nH]c([nH]1)=O)
AMINO-OXOBUT 2-amino-3-oxobutanoate C4H7NO3 C(O)(=O)C(N)C(=O)C
AMINO-OH-HYDROXYMETHYL-DIHYDROPTERIDINE 6-hydroxymethyl-dehydropterin C7H9N5O2 C2(C(CO)=Nc1(c(O)nc(N)nc1N2))
AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP 4-amino-5-hydroxymethyl-2-methylpyrimidine-pyrophosphate C6H11N3O7P2 c1(c(c(N)nc(C)n1)COP(O)(=O)OP(O)(=O)O) 841-01-0
AMINO-HYDROXYMETHYL-METHYL-PYR-P hydroxymethylpyrimidine phosphate C6H10N3O4P Cc1(nc(N)c(cn1)COP(O)(O)=O)
AMINO-ACETONE aminoacetone C3H7NO C(N)C(C)=O 298-08-8
ALPHA-RIBAZOLE-5-P α-ribazole-5'-P C14H19N2O7P C1(C(O)C(O)C(O1)COP(O)(=O)O)n2(c3(c(nc2)cc(C)c(C)c3))
ALPHA-RIBAZOLE α-ribazole C14H18N2O4 Cc1(cc2(c(cc1C)n(cn2)C3(OC(CO)C(O)C(O)3)))
ALPHA-GLUCOSE-16-BISPHOSPHATE α-glucose-1,6-bisphosphate C6H14O12P2 C1(OC(COP(O)(O)=O)C(O)C(O)C(O)1)(OP(O)(O)=O) 10139-18-1
ALLANTOIN allantoin C4H6N4O3 C1(NC(N)=O)(C(=O)NC(N1)=O) C01551 97-59-6
ALLANTOATE allantoate C4H8N4O4 C(C(O)=O)(NC(N)=O)NC(N)=O 99-16-1
AICAR AICAR C9H15N4O8P C(OP(=O)(O)O)[CH]1(O[CH]([CH](O)[CH](O)1)n2(c(N)c(C(=O)N)nc2)) 3031-94-5
ADIPATE adipate C6H10O4 C(O)(=O)CCCCC(O)=O 124-04-9
ADENOSYLCOBINAMIDE-P adenosylcobinamide-P C58H83N16O14PCo CC3(C8(N2([Co+1]57(N1(=C(C(CCC(N)=O)C(C)(C)C1=CC=2C3CCC(N)=O)C(C)=C4(C(C)(CCC(=O)NC[CH](C)OP([O-1])(=O)[O-1])C(CC(N)=O)[CH](N45)C6(C(CC(N)=O)(C)C(C(=N67)C=8C)CCC(=O)N)(C))))(CC9(OC(C(O)C9O)n10(c11(c(nc10)c(N)ncn11)))))))(CC(N)=O)
ADENOSYLCOBINAMIDE-GDP adenosylcobinamide-GDP C68H95N21O21P2Co CC4(C11(=[N+1]10([Co+1]68(CC1(OC(C(O)C1O)n2(c3(c(nc2)c(N)ncn3))))(N5(C=4C(C)(C(CC(=O)N)[CH]5C7(C)([N+1]6=C(C(C(C)7CC(=O)N)CCC(=O)N)C(C)=C9([N+1]8=C(C(C(C)9CC(=O)N)CCC(=O)N)C=C10C(C)(C)C11CCC(=O)N)))CCC(=O)NC[CH](C)OP(=O)([O-1])OP(=O)([O-1])OC[CH]12(O[CH]([CH](O)C12O)n13(c14(c(nc13)c(=O)[nH]c(n14)N))))))))
ADENOSYLCOBINAMIDE adenosylcobinamide C58H84N16O11Co CC3(C6(N2([Co+1]58(N1(=C(C(CCC(N)=O)C(C)(C)C1=CC=2C3CCC(N)=O)C(C)=C7(N([CH](C4(C(CC(N)=O)(C)C(C(=N45)C=6C)CCC(=O)N)(C))C(CC(N)=O)C7(C)CCC(=O)NC[CH](C)O)8)))(CC9(OC(C(O)C9O)n10(c11(c(nc10)c(N)ncn11)))))))(CC(N)=O)
ADENOSYLCOBALAMIN-5-P adenosylcobalamin-5'-phosphate C72H100N18O20P2Co CC5(=C1(C15(C(CC(N)=O)[CH]3(N1[Co+1]78(N2(=C(C(CCC(N)=O)C(C2(C)3)(C)CC(N)=O)C(C)=C4(N(=C(C(CCC(N)=O)C4(C)CC(N)=O)C=C6(C(C)(C)C(C5=N67)CCC(N)=O))8)))(CC9(OC(C(O)C(O)9)n10(c11(c(nc10)c(N)ncn11))))n13(cn(c12(cc(C)c(C)cc1213))[CH]14([CH](O)C([CH](O14)COP([O-1])(O)=O)OP([O-1])(=O)O[CH](C)CNC(=O)CC15))))(C)))
ADENOSYL-P4 P(1),P(4)-bis(5'-adenosyl)tetraphosphate C20H28N10O19P4 c1(c2(c(ncn1)n(cn2)C3(OC(C(O)C(O)3)COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC4(OC(C(O)C(O)4)n5(c6(c(nc5)c(N)ncn6))))))(N)
ADENOSINE5TRIPHOSPHO5ADENOSINE adenosine(5')triphospho(5')adenosine C20H27N10O16P3 C(C1(OC(C(O)C1O)N2(c3(c(N=C2)c(N)ncn3))))OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4(OC(C(O)C4O)N5(c6(c(N=C5)c(N)ncn6)))
ACETYLSERINE O-acetyl-L-serine C5H9NO4 C([CH](N)C(O)=O)OC(C)=O 66638-22-0
ACETYL-P acetylphosphate C2H5O5P CC(=O)OP(=O)(O)O 590-54-5
ACETOIN acetoin C4H8O2 CC(=O)C(O)C C00466 513-86-0 513-86-0
ACETAMIDE acetamide C2H5NO C(=O)(N)C C06244 60-35-5
ACETALD acetaldehyde C2H4O [CH](C)=O 75-07-0
ACET acetate C2H3O2 C([O-1])(=O)C 71-50-1
A-L-GLYCOL a L-glycol C2H5O2R NIL
A-2-HYDROXYCARBONYL-COMPOUND a 2-hydroxycarbonyl compound C2H3O2R NIL
8-THIO-OCTANOATE 8-thio-octanoate C8H16O2S C(S)CCCCCCC(O)=O
8-SELENO-OCTANOATE 8-seleno-octanoate C8H15O2Se C([Se])CCCCCCC(O)=O
8-AMINO-7-OXONONANOATE 8-amino-7-oxononanoate C9H17NO3 CC(N)C(=O)CCCCCC(=O)O
7-CYANO-7-DEAZAGUANINE 7-cyano-7-deazaguanine C7H5N5O C(#N)c1(c2(c(nc1)nc(N)nc2=O))
7-AMINOMETHYL-7-DEAZAGUANINE 7-aminomethyl-7-deazaguanine C7H9N5O C1(=C(CN)C2(=C([NH]1)N=C(N)[NH]C2=O))
6S-6-FLUORO-EPSP (6S)-6-fluoro-EPSP C11H14O9FP C=C(O)C(=O)OC1(C(O)C(OP(=O)(O)C)C=C(C1F)C(O)=O)
6R-6-FLUORO-EPSP (6R)-6-fluoro-EPSP C11H14O9FP C=C(O)C(=O)OC1(C(O)C(OP(=O)(O)C)C=C(C1F)C(O)=O)
67-DIHYDROPTERIDINE 6,7-dihydropteridine C6H6N4 C1(=NC=NC2(C1=NCCN=2))
6-THIO-OCTANOATE 6-thio-octanoate C8H16O2S CCC(S)CCCCC(O)=O
6-SELENO-OCTANOATE 6-seleno-octanoate C8H15O2Se CCC([Se])CCCCC(O)=O
5K-GLUCONATE 5-ketogluconate C6H10O7 C(=O)(O)C(O)C(O)C(O)C(=O)CO
5678-TETRAHYDROPTERIDINE 5,6,7,8-tetrahydropteridine C6H8N4 C1(C2(=C(N=CN=1)NCCN2))
5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE 5-aminoimidazole ribonucleotide C8H14N3O7P c1(c(N)n(cn1)C2(OC(C(O)C2O)COP(O)(O)=O))
5-P-NITROPHENYLTHIOADENOSINE 5'-(p-nitrophenyl)thioadenosine C16H16N6O5S C(Sc1(ccc(N(=O)=O)cc1))C2(OC(C(O)C2O)n3(c4(c(nc3)c(N)ncn4)))
5-P-BETA-D-RIBOSYL-AMINE 5-phosphoribosylamine C5H12NO7P C(OP(=O)(O)O)[CH]1([CH](O)[CH](O)[CH](N)O1)
5-METHYLTHIOTUBERCIDIN 5'-methylthiotubercidin C12H16N4O3S C2(N(C1(OC(C(O)C1O)CSC))c3(c(C=2)c(N)ncn3))
5-METHYLTHIOFORMYCIN 5'-methylthioformycin C11H15N5O3S C(SC)C1(OC(C(O)C1O)C2(c3(c(NN=2)c(N)ncn3)))
5-METHYLTHIOADENOSINE 5'-methylthioadenosine C11H15N5O3S C1(OC(CSC)C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)) 2457-80-9
5-L-GLUTAMYL-PEPTIDE (5-L-glutamyl)-L-peptide C5H9N2O3a protein NIL
5-L-GLUTAMYL-L-AMINO-ACID (5-L-glutamyl)-L-amino acid C7H11N2O5R NIL
5-KETO-4-DEOXY-D-GLUCARATE 5-keto-4-deoxy-D-glucarate C6H8O7 C(O)(=O)C(O)C(O)CC(=O)C(=O)O
5-HYDROXY-CTP 5-hydroxy-CTP C9H16N3O15P3 c1(n(c(=O)nc(N)c1O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O))
5-CHLOROFORMYCIN 5'-chloroformycin NIL
5-AMINO-LEVULINATE 5-amino-levulinate C5H9NO3 C(N)C(=O)CCC(=O)O 106-60-5
4-P-PANTOTHENATE D-4'-phosphopantothenate C9H18NO8P C(OP(O)(=O)O)C(C)(C)C(O)C(=O)NCCC(O)=O
4-HYDROXY-2-KETOVALERATE 4-hydroxy-2-ketovalerate C5H8O4 CC(O)CC(=O)C(=O)O
4-AMINO-BUTYRATE 4-aminobutyrate C4H9NO2 C(=O)(O)CCCN 56-12-2
4-AMINO-4-DEOXYCHORISMATE 4-amino-4-deoxychorismate C10H11NO5 C=C(C(O)=O)OC1(C(N)C=CC(=C1)C(O)=O) 97279-79-3
3OH-4P-OH-ALPHA-KETOBUTYRATE 3-hydroxy-4-phospho-hydroxy-α-ketobutyrate C4H6O8P C([O-1])(=O)C(=O)C(O)COP(=O)(O)O
34-DIHYDROXYPHENYLACETALDEHYDE 3,4-dihydroxyphenylacetaldehyde C9H10O3 CC(=O)Cc1(cc(O)c(O)cc1)
3-PHENYLPROPIONATE 3-phenylpropionate C9H10O2 C(O)(=O)CCc1(ccccc1)
3-P-HYDROXYPYRUVATE 3-phospho-hydroxypyruvate C3H5O7P C(C(=O)C(O)=O)OP(=O)(O)O 3913-50-6
3-OCTAPRENYL-4-HYDROXYBENZOATE 3-octaprenyl-4-hydroxybenzoate C47H70O3 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1(c(O)ccc(c1)C(O)=O)
3-MERCAPTO-PYRUVATE 3-mercaptopyruvate C3H4O3S C(=O)(O)C(=O)CS 2464-23-5
3-KETOBUTYRATE acetoacetate C4H6O3 C(O)(=O)CC(=O)C 541-50-4
3-KETO-L-GULONATE 3-keto-L-gulonate C6H10O7 C(O)C(O)C(O)C(=O)C(O)C(=O)O
3-HYDROXYPHENYL-PROPIONATE 3-(3-hydroxyphenyl)propionate C9H10O3 C(=O)(O)CCc1(cccc(c1)O)
3-HYDROXYBUTYRATE 3-hydroxybutyrate C4H8O3 CC(O)CC(O)=O
3-HYDROXYADIPYL-COA 3-hydroxyadipyl-CoA C27H44N7O20P3S [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCC(=O)O)
3-HYDROXY-ISOBUTYRATE 3-hydroxy-isobutyrate C4H8O3 C(O)(=O)C(C)CO 2068-83-9
3-ENOLPYRUVYL-SHIKIMATE-5P 5-enolpyruvyl-shikimate-3-phosphate C10H13O10P C(=O)(O)C1([CH2][CH](OC(=C)C(=O)O)[CH](O)[CH]([CH]=1)OP(O)(O)=O)
3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P 3-deoxy-D-arabino-heptulosonate-7-phosphate C7H13O10P C(=O)(O)C(=O)CC(O)C(O)C(O)COP(O)(=O)O 2627-73-8
3-DEHYDRO-SHIKIMATE 3-dehydro-shikimate C7H8O5 C(=O)(O)C1(=[CH]C(=O)[CH](O)[CH]([CH2]1)O) 2922-42-1
3-CHLORO-D-ALANINE 3-chloro-D-alanine C3H6NO2Cl C(=O)(O)C(N)CCl
3-CARBOXY-3-HYDROXY-ISOCAPROATE 3-carboxy-3-hydroxy-isocaproate C7H12O5 C(=O)(O)CC(O)(C(=O)O)C(C)C
3-BROMOPYRUVATE 3-bromopyruvate C3H3O3Br C(Br)C(=O)C(O)=O
3-5-ADP 3',5'-ADP C10H15N5O10P2 c1(c2(c(ncn1)n(cn2)C3(OC(COP(=O)(O)O)C(C(O)3)OP(O)(=O)O)))(N)
2K-ADIPATE α-ketoadipate C6H8O5 C(=O)(O)C(=O)CCCC(O)=O 3184-35-8
2K-4CH3-PENTANOATE 2-keto-4-methyl-pentanoate C6H10O3 CC(C)CC(=O)C(=O)O 816-66-0
2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE 2-C-methyl-D-erythritol-2,4-cyclodiphosphate C5H12O9P2 CC1(CO)(C(O)COP(=O)(O)OP(O)(O1)=O)
23-DIHYDROXYBENZOYLSERINE-MULTIMERS 2,3-dihydroxybenzoylserine C10H11NO6 C(O)C(C(O)=O)NC(=O)c1(c(O)c(O)ccc1)
2-OXOBUTANOATE 2-oxobutanoate C4H6O3 C(O)(=O)C(=O)CC 600-18-0
2-OCTAPRENYLPHENOL 2-octaprenylphenol C46H70O CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1(c(O)cccc1)
2-OCTAPRENYL-6-METHOXYPHENOL 2-octaprenyl-6-methoxyphenol C47H72O2 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1(c(O)c(OC)ccc1)
2-OCTAPRENYL-6-HYDROXYPHENOL 2-octaprenyl-6-hydroxyphenol C46H70O2 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1(c(O)c(O)ccc1)
2-KETOGLUTARATE α-ketoglutarate C5H6O5 C(O)(=O)C(=O)CCC(=O)O 328-50-7
2-KETO-ISOVALERATE 2-keto-isovalerate C5H8O3 CC(C)C(=O)C(=O)O 759-05-7
2-KETO-3-METHYL-VALERATE 2-keto-3-methyl-valerate C6H10O3 CC(CC)C(=O)C(=O)O 1460-34-0
2-KETO-3-DEOXY-6-P-GLUCONATE 2-keto-3-deoxy-6-phospho-gluconate C6H11O9P C(OP(O)(O)=O)[CH](O)[CH](O)[CH2]C(=O)C(=O)O 27244-54-8
2-HYDROXYMALONATE 2-hydroxymalonate C3H2O5 C(=O)([O-1])C(O)C([O-1])=O
2-HYDROXYGLUTARIC_ACID 2-hydroxyglutarate C5H8O5 C(O)(=O)C(O)CCC(=O)O 2889-31-8
2-HYDROXY-6-KETONONADIENEDICARBOXYLATE 2-hydroxy-6-ketononadienedicarboxylate C9H10O6 C(=O)(O)C(O)=CC=CC(=O)CCC(=O)O
2-DEOXY-D-GLUCOSE 2-deoxy-D-glucose C6H12O5 C(O)C1(C(O)C(O)CC(O1)O) 154-17-6
2-DEHYDROPANTOYL-LACTONE 2-oxopantoyl lactone C6H8O3 C1(C(C)(C)C(=O)C(=O)O1)
2-DEHYDROPANTOATE 2-dehydropantoate C6H10O4 C(O)(=O)C(=O)C(C)(C)CO
2-DEHYDRO-3-DEOXY-D-GLUCONATE 2-dehydro-3-deoxy-D-gluconate C6H10O6 C(=O)(O)C(=O)[CH2][CH](O)[CH](O)CO 17510-99-5
2-DEHYDRO-3-DEOXY-D-GALACTONATE 2-dehydro-3-deoxy-D-galactonate C6H10O6 C(O)[CH](O)[CH](O)[CH2]C(=O)C(=O)O
2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE 2-D-threo-hydroxy-3-carboxy-isocaproate C7H12O5 C(O)(=O)C(O)C(C(C)C)C(=O)O
2-CARBOXYMUCONATE 2-carboxymuconate C7H6O6 C(=O)(O)C=CC=C(C(O)=O)C(O)=O
2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE 2-C-methyl-D-erythritol-4-phosphate C5H13O7P C(OP(O)(=O)O)C(O)C(O)(C)CO
2-AMINOMALONATE-SEMIALDEHYDE 2-aminomalonate-semialdehyde C3H5NO3 C(=O)C(N)C(O)=O
2-ACETO-LACTATE 2-acetolactate C5H8O4 CC(=O)C(C)(O)C(O)=O
2-ACETO-2-HYDROXY-BUTYRATE 2-aceto-2-hydroxy-butyrate C6H10O4 CC(=O)C(O)(C(O)=O)CC 3142-65-2
2-5-TRIPHOSPHORIBOSYL-3-DEPHOSPHO- 2'-(5''-triphosphoribosyl)-3'-dephospho-CoA C26H44N7O26P5S C(CS)NC(=O)CCN[C-1](=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OC[CH]1(C([O-1])[CH]([CH](O1)[n-1]2(c3(c(nc2)c(N)ncn3)))OC4([O-1][CH-1]([CH](O)[CH]4O)COP(=O)(O)OP([O-1])(=O)OP(=O)(O)O))
2-3-DIHYDROXYPHENYL-PROPIONATE 3-(2,3-dihydroxyphenyl)propionate C9H10O4 C(O)(=O)CCc1(c(O)c(O)ccc1)
2-3-DIHYDROXYBENZOATE 2,3-dihydroxybenzoate C7H6O4 C(O)(=O)c1(c(O)c(O)ccc1) 303-38-8
2,3-diketo-l-gulonate 2,3-diketo-L-gulonate C6H8O7 C(O)C(O)C(O)C(=O)C(=O)C(O)=O
2,3-dihydrodipicolinate L-2,3-dihydrodipicolinate C7H7NO4 C(=O)(O)C1(=NC(C(O)=O)CC=C1)
1-KETO-2-METHYLVALERATE 2,3-dihydroxy-3-methylvalerate C6H12O4 CC(CC)(O)C(O)C(=O)O
1-ETHYLADENINE 1-ethyladenine C7H9N5 CCn1(c2(c(nc1)c([NH2])ncn2))
1-CHLORO-24-DINITROBENZENE 1-chloro-2,4-dinitrobenzene C6H3N2O4Cl C1(=CC([N+1](=O)[O-1])=CC=C(Cl)1)([N+1]([O-1])=O)
1-AMINO-PROPAN-2-ONE-3-PHOSPHATE 1-amino-propan-2-one-3-phosphate C3H8NO5P C(N)C(=O)COP(O)(O)=O
1-AMINO-PROPAN-2-OL 1-amino-propan-2-ol C3H9NO C(N)C(C)O 78-96-6
OXOPENTENOATE 2-oxopent-4-enoate C5H6O3 C(O)(=O)C(=O)CC=C 159694-16-3
CHOLATE cholate C24H40O5 CC(CCC(O)=O)[CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2O)C4(C)([CH](CC3O)CC(O)CC4)))) 81-25-4
6-AMINOPENICILLANATE 6-aminopenicillanate C8H12N2O3S [CH]12(N(C(=O)[CH](N)1)C(C(=O)O)C(C)(C)S2) 551-16-6
CPD0-441 fosmidomycin C4H10NO5P C(P(O)(=O)O)CCN(O)[CH]=O
ENTEROBACTIN enterobactin C30H27N3O15 C(=O)(c1(c(O)c(O)ccc1))NC3(C(=O)OCC(NC(=O)c2(c(O)c(O)ccc2))C(=O)OCC(C(=O)OC3)NC(=O)c4(c(O)c(O)ccc4))
FERRIC-ENTEROBACTIN-COMPLEX ferric enterobactin NIL
FERRIC-CITRATE-COMPLEX ferric dicitrate NIL
CPD0-641 ferric dihydroxybenzoylserine NIL
CPD0-621 ferric coprogen NIL
CARNITINE-PRE-COFACTOR pre-cofactor NIL
CARNITINE-COFACTOR cofactor NIL
UROPORPHYRIN_III uroporphyrin III C40H36N4O16 C(O)(=O)Cc1(c5(nc(c1CCC(O)=O)C=C2(N=C(C(=C2CC(O)=O)CCC(=O)O)C=c3(nc(c(CC(=O)O)c3CCC(O)=O)=CC4(C(CC(=O)O)=C(C(N=4)=C5)CCC(O)=O))))) 18273-06-8
SIROHEME siroheme C42H44N4O16Fe C(O)(=O)CC8(C7(=Cc1(n2(c(c(CCC(=O)O)c1CC(=O)O)C=c4(n3([Fe]62(N5(C(=Cc3c(CCC(=O)O)c4CC(=O)O)C(CC(=O)O)(C)[CH](CCC(=O)O)C5=CC(=N67)[CH]8CCC(=O)O))))))))(C)
PROTOPORPHYRIN_IX protoporphyrin IX C34H34N4O4 Cc5(c(CCC(=O)O)c4(C=C1(N=C(C(C)=C1CCC(=O)O)C=c2(nc(c(c2C)C=C)=CC3(=NC(C(=C3C)C=C)=Cc(n4)5))))) 553-12-8
PROTOPORPHYRINOGEN protoporphyrinogen C34H36N4O4 Cc1(c4(nc(c1C=C)Cc2(nc(c(c(C)2)CCC(=O)O)Cc3(nc(c(C)c3CCC(=O)O)Cc5(c(C)c(C=C)c(C4)n5))))) 7412-77-3
PROTOHEME protoheme C34H32N4O4Fe Cc8(c4(n7([Fe]35(n1(c(c(C)c(C=C)c1=CC2(C(C)=C(C(N=23)=C4)C=C))=CC6(=N5C(C(=C6C)CCC(=O)O)=Cc7c8CCC(=O)O)))))) 14875-96-8
HEME_O heme O C49H58N4O5Fe Cc8(c3(n7([Fe]25(n4(c(=CC1(C(C)=C(C(N=12)=C3)C=C))c(c(C)c4=CC6(=N5C(C(=C6C)CCC(=O)O)=Cc7c8CCC(=O)O))C(O)CCC=C(C)CCC=C(C)CCC=C(C)C)))))
HEME_D heme D C34H32N4O10Fe [CH3]c5(c([CH2][CH2]C(=O)[OH])c4(=[CH]c1([n-1]c(c([CH3])c1[CH2][CH2]C(=O)[OH])[CH]=C2(N=C(C(=O)C([CH3])2[CH2]C(=O)[OH])[CH]=C3(C([CH3])([CH2]C(=O)[OH])C(=O)C(=N3)[CH]=c([n-1]4)5)))))
HEME_C heme C NIL
TAURINE taurine C2H7NO3S C(CN)S(=O)(O)=O C00245 107-35-7
SULFUR-DIOXIDE sulphur dioxide O2S S(=O)=O 7446-09-5
S2O4 dithionite O4S2 [S-1](=O)([O-1])[S-1]([O-1])=O
OXYGEN-MOLECULE O2 O2 O=O 7782-44-7
NITROUS-OXIDE nitrous oxide N2O N#N=O 10024-97-2
NITRIC-OXIDE nitric oxide HNO N=O 10102-43-9
HCN hydrogen cyanide CHN [CH]#N
EDTA EDTA C10H16N2O8 [CH2](N([CH2]C(=O)[OH])[CH2]C(=O)[OH])[CH2]N([CH2]C(=O)[OH])[CH2]C(=O)[OH]
KDO2-LIPID-A KDO2-lipid A C110H202N2O39P2 CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(C(OP(O)(O)=O)C(O2)COC3(CC(C(O)C(O3)C(O)CO)OC4(OC(C(O)CO)C(O)C(O)C4)(C(O)=O))(C(O)=O))OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC))
ZN+2 Zn2+ Zn [Zn+2]
TRIMETHYLSULFONIUM trimethyl sulfonium C3H9S C[S+1](C)C 2181-42-2
PROTON H+ H [H+1]
NI+2 Ni2+ Ni [Ni+2]
NA+ Na+ Na [Na+1]
MO+2 Mo2+ Mo NIL
MN+2 Mn2+ Mn [Mn+2]
MG+2 Mg2+ Mg [Mg+2]
K+ K+ K [K+1]
HG+2 Hg2+ Hg [Hg+2]
FE+3 Fe3+ Fe [Fe+3]
FE+2 Fe2+ Fe [Fe+2]
CU+2 Cu2+ Cu [Cu+2]
CU+ Cu+ Cu [Cu+1]
CPD-4762 Cr6+ Cr [Cr+6]
CPD-4761 Cr3+ Cr [Cr+3]
CPD-21 Tl+ NIL
CPD-2 Cs+ NIL
CPD-1492 Be2+ Be NIL
CPD-1491 Rb+ Rb NIL
CPD-1490 Sn2+ Sn NIL
CPD-1486 Ag2+ Ag NIL
CPD-1485 Ag+ Ag NIL
CPD-1484 Al3+ Al NIL
CPD-1 Li+ Li [Li+1]
CO+2 Co2+ Co [Co+2]
CD+2 Cd2+ Cd NIL
CA+2 Ca2+ Ca [Ca+2]
BA+2 Ba2+ Ba NIL
AMMONIUM NH4+ H4N [NH4+1] 14798-03-9
PPI pyrophosphate H4O7P2 O(P(O)(O)=O)P(O)(=O)O 2466-09-3
P4I P4,i NIL
P3I PPPi H5O10P3 OP(O)(=O)OP(=O)(O)OP(=O)(O)O 7758-29-4
Pi phosphate O4P P([O-1])([O-1])(=O)[O-1] 14265-44-2
CPD-610 trimetaphosphate H3O9P3 P1(=O)(OP(=O)(O)OP(O1)(O)=O)(O) 7785-84-4
SUPER-OXIDE O2- O2 O=[O-1]
SULFATE SO42- O4S O=S([O-1])([O-1])=O 14808-79-8
SO3 SO3-2 O3S S([O-1])([O-1])=O
S2O3 S2O32- O3S2 S([S-1])([O-1])(=O)=O
OH OH- HO [OH-1] 14280-30-9
NITRITE NO2- NO2 N(=O)[O-1] 14797-65-0
NITRATE NO3- NO3 [N+1]([O-1])([O-1])=O 14797-55-8
HCO3 HCO3- CHO3 C(=O)(O)[O-1] 144-55-8
F- F- F [F-1]
E- e- NIL
CPD-552 trithionate O6S3 S([O-1])(=O)(=O)SS([O-1])(=O)=O
CPD-387 I- I NIL 20461-54-5
CPD-3 MoO42- O4Mo O=[Mo]([O-1])([O-1])=O
CPD-27 phosphite HO3P [PH]([O-1])(=O)[O-1]
CL- Cl- Cl [Cl-1]
BR- Br- Br [Br-1]
ARSENATE arsenate HO4As O=[As]([O-1])([O-1])O
D-MYO-INOSITOL-1-MONOPHOSPHATE 1D-myo-inositol 1-phosphate C6H13O9P C1(O)(C(O)C(O)C(C(O)C1O)OP(O)(O)=O)
MYO-INOSITOL myo-inositol C6H12O6 C1(C(O)C(O)C(O)C(O)C(O)1)(O) C00137 6917-35-7
MI-PENTAKISPHOSPHATE 1-myo-inositol 1,2,3,4,5-pentakisphosphate C6H17O21P5 C1(O)(C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O)
MI-HEXAKISPHOSPHATE myo-inositol hexakisphosphate C6H18O24P6 C1(C(OP(O)(=O)O)C(OP(O)(=O)O)C(OP(O)(=O)O)C(OP(O)(=O)O)C(OP(O)(=O)O)1)(OP(O)(=O)O)
CPD-534 D-myo-inositol 1,2,4,5,6-pentakisphosphate C6H17O21P5 C1(OP(O)(=O)O)(C(OP(O)(=O)O)C(OP(O)(=O)O)C(O)C(OP(O)(=O)O)C1OP(O)(=O)O) 20298-95-7
1-L-MYO-INOSITOL-1-P 1L-myo-inositol 1-phosphate C6H13O9P C1(C(O)C(O)C(OP(O)(=O)O)C(O)C(O)1)(O)
TUNGSTATE tungstate H2O4W O=[W](O)(O)=O 7783-03-1
X-PYROPHOSPHATE-GROUP x-pyrophosphate-group O5P2 [O-1]P(=O)OP(=O)[O-1]
X-PHOSPHATE-GROUP x-phosphate-group HO3P P([O-1])(O)=O
THIOL-GROUP thiol-group CHS [C-3]S
PYROPHOSPHATE-GROUP pyrophosphate-group H3O7P2 OP(=O)(O)OP(O)([O-1])=O
PHOSPHATE-GROUP phosphate-group H2O4P P(O)(=O)([O-1])O
METHYL-GROUP methyl-group CH3 [CH3-1]
IMINO-GROUP imino-group CHN [C-2]=N
HYDROXYL-GROUP hydroxyl-group CHO [C-3]O
CARBOXYL-GROUP carboxyl-group CHO2 [C-1](O)=O
CARBONYL-GROUP carbonyl-group CO [C-2]=O
AMINO-GROUP amino-group CH2N [C-3]N
STRANGE-GROUP strange group C2H5O2S C1(S(C1)(O)=O)
STERONE-RING sterone-ring C17H28 C12(C(CCC1)C3(C(CC2)C4(C(CC3)CCCC4)))
PYRIMIDINE-RING pyrimidine-ring C4H6N2 C1(=CC=NCN1)
PYRIDINE-RING pyridine-ring C5H5N c1(ccccn1)
PURINE-RING purine-ring C5H4N4 c12(nc[nH]c(cncn1)2)
PTERIDINE-RING pteridine-ring C6H4N4 c1(nc2(c(nc1)cncn2))
PORPHYRIN-RING porphyrin-ring C20H12N4 c15(nc(cc1)C=C2(N=C(C=C2)C=c3(nc(cc3)=CC4(C=CC(N=4)=C5))))
PHENANTHRENE-RING phenanthrene-ring C14H10 c1(ccc2(c(c1)ccc3(ccccc23)))
PENTOSE-RING pentose-ring C5H10O5 C1(O)(OC(CO)C(O)C(O)1)
NUKED-PENTOSE-RING nt-pentose-ring C5H10O4 C1(OC(CO)C(O)C(O)1)
IMIDAZOLE-RING imidazole C3H4N2 c1(c[nH]cn1) 288-32-4
BENZENE benzene C6H6 c1(ccccc1) 71-43-2
ADENINE-RING adenine-ring C5H4N5 c12(c(ncn1)c(N)ncn2)
NAD-STEM-GROUP NAD stem group C15H23N5O13P2 C(C1(C(O)C(O)CO1))OP(=O)(O)OP(O)(=O)OCC2(OC(C(O)C(O)2)n3(c4(c(nc3)c(N)ncn4)))
FAD-STEM-GROUP FAD stem group C15H26N6O13P2 C(OP(O)(=O)OP(=O)(O)OCC(O)C(O)C(O)CN)C1(OC(C(O)C1O)n2(c3(c(nc2)c(N)ncn3)))
COA-GROUP coenzyme-A-group C21H36N7O16P3S C3(n1(c2(c(nc1)c(N)ncn2)))(OC(C(C(O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS)
AMP-GROUP AMP group C10H14N5O7P C(OP(O)(=O)O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
ADP-GROUP ADP group C10H15N5O10P2 C(OP(O)(=O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
UBIQUINONE-8 ubiquinone-8 C49H74O4 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(OC)=C(OC)C(=O)C=1C)
UBIQUINONE-30 ubiquinone-6 C39H58O4 CC(=CCC1(=C(C)C(=O)C(OC)=C(OC)C(=O)1))CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
UBIQUINONE-10 ubiquinone-10 C59H90O4 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(OC)=C(OC)C(=O)C=1C) 1339-63-5
UBIQUINOL-8 ubiquinol-8 C49H78O4 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)C(OC)=C(OC)C(O)C=1C)
UBIQUINOL-10 ubiquinol-10 C59H94O4 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)C(OC)=C(OC)C(O)C=1C)
NADPH NADPH C21H30N7O17P3 C(C1(OC(C(C(O)1)OP(O)(=O)O)n2(c3(c(nc2)c(N)ncn3))))OP(O)(=O)OP(=O)(O)OCC4(OC(C(O)C(O)4)N5(C=C(C(N)=O)CC=C5))
NADH NADH C21H29N7O14P2 C([CH]1(O[CH]([CH](O)[CH]1O)N2(C=C(C(=O)N)[CH2]C=C2)))OP(=O)(O)OP(=O)(O)OC[CH]3(O[CH]([CH](O)[CH](O)3)n4(c5(c(nc4)c(N)ncn5)))
NADP NADP+ C21H29N7O17P3 C(C1(OC(C(C(O)1)OP(O)(=O)O)n2(c3(c(nc2)c(N)ncn3))))OP(O)(=O)OP(=O)(O)OCC4(OC(C(O)C(O)4)[n+1]5(cc(C(N)=O)ccc5)) 53-59-8
NAD NAD+ C21H28N7O14P2 c1([n+1](cc(C(=O)N)cc1)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCC3(OC(C(O)C3O)n4(c5(c(nc4)c(N)ncn5))))) 53-84-9
VITAMIN_K_{2} menaquinone-8 C51H72O2 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)c2(c(C(=O)1)cccc2))
DEMETHYLMENAQUINONE demethylmenaquinone-8 C50H70O2 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)c2(c(C(C=1)=O)cccc2))
REDUCED-MENAQUINONE menaquinol C51H76O2 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)c2(c(C(O)C=1C)cccc2))
FMNH2 FMNH2 C17H23N4O9P c1(=O)(c2(c([nH]c([nH]1)=O)N(c3(c(N2)cc(C)c(C)c3))CC(O)C(O)C(O)COP(=O)(O)O))
FMN FMN C17H21N4O9P C1(c2(c(=NC(=O)N1)n(c3(c(n2)cc(C)c(c3)C))CC(O)C(O)C(O)COP(=O)(O)O))(=O) 146-17-8
FADH2 FADH2 C27H35N9O15P2 Cc3(cc2(N(c1(c(c(=O)[nH]c(=O)[nH]1)[NH]c2cc(C)3))CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4(O[CH]([CH](O)[CH]4O)n5(c6(c(nc5)c(N)ncn6))))) 1910-41-4
FAD FAD C27H33N9O15P2 Cc3(cc2(n(c1(c(C(=O)[NH]C(=O)N=1)nc2cc(C)3))CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4(O[CH]([CH](O)[CH](O)4)n5(c6(c(nc5)c(N)ncn6))))) 146-14-5
CPD-7 Fe4S4 iron-sulfur center S4Fe4 [Fe]25(S4([Fe]1(S3([Fe](S12)S([Fe]34)5))))
CPD-6 Fe2S2 iron-sulfur center H2S2Fe2 [Fe+2]
CPD-5 FeS iron-sulfur center SFe [Fe]=S
3FE4S Fe3S4 iron-sulfur center S4Fe3 [Fe]13(S2([Fe](S1)S[Fe]2S3))
THF tetrahydrofolate C19H23N7O6 C2([CH](Nc1(c(=O)[nH]c(N)nc1N2))C[NH]c3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O)) 29347-89-5
METHYLENE-THF 5,10-methylene-THF C20H23N7O6 C(=O)(NC(C(O)=O)CCC(=O)O)c1(ccc(cc1)N2(CN4([CH](C2)[CH2]Nc3(nc(N)[nH]c(c34)=O))))
10-FORMYL-THF N10-formyl-THF C20H23N7O7 C2(C(Nc1(c(=O)[nH]c(N)nc1N2))CN(C=O)c3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O)) 2800-34-2
5-METHYL-THF 5-methyl-THF C20H25N7O6 C(C1(N(C)c2(c(NC1)nc(N)[nH]c2=O)))Nc3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O) 134-35-0
DIHYDROFOLATE 7,8-dihydrofolate C19H21N7O6 C(C1(=Nc2(c(NC1)nc(N)[nH]c2=O)))Nc3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O) 4033-27-6
7,8-dihydropteroate 7,8-dihydropteroate C14H14N6O3 C(Nc1(ccc(C(O)=O)cc1))C2(=Nc3(c(NC2)nc(N)[nH]c3=O))
5,10-methenyl-thf 5,10-methenyl-THF C20H22N7O6 C3(C1(CN(C=[N+1]1c2(c(=O)[nH]c(N)nc2N3))c4(ccc(cc4)C(=O)NC(C(O)=O)CCC(O)=O))) 7444-29-3
T2-DECENOYL-COA trans-Δ2-decenoyl-CoA C31H52N7O17P3S CCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)n2(c3(c(nc2)c(N)ncn3)))
T2-C4-DECADIENYL-COA trans-Δ2, cis-Δ4-decadienoyl-CoA C31H50N7O17P3S CCCCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)n2(c3(c(nc2)c(N)ncn3)))
ACETOACETYL-COA acetoacetyl-CoA C25H40N7O18P3S CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)n2(c3(c(nc2)c(N)ncn3))) 1420-36-6
3-KETO-ADIPYL-COA β-ketoadipyl-CoA C27H42N7O20P3S CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC(=O)O)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(=O)O)n2(c3(c(nc2)c(N)ncn3)))
SUC-COA succinyl-CoA C25H40N7O19P3S [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O) 604-98-8
PROPIONYL-COA propionyl-CoA C24H40N7O17P3S [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC) 317-66-8
PALMITYL-COA palmityl-CoA C37H66N7O17P3S c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC)))(N) 1763-10-6
O-SUCCINYLBENZOYL-COA O-succinylbenzoyl-CoA C32H44N7O20P3S c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)c4(c(cccc4)C(=O)CCC(=O)O))))(N)
METHYL-MALONYL-COA L-methylmalonyl-CoA C25H40N7O19P3S [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C(O)=O) 104809-02-1
MALONYL-COA malonyl-CoA C24H38N7O19P3S [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O) 524-14-1
L-CARNITINYL-COA L-carnitinyl-CoA C28H50N8O18P3S C([N+1](C)(C)C)C(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC1(OC(C(O)C1OP(O)(=O)O)n2(c3(c(nc2)c(N)ncn3)))
ISOVALERYL-COA isovaleryl-CoA C26H44N7O17P3S [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C)C) 6244-91-3
GAMMA-BUTYROBETAINYL-COA γ-butyrobetainyl-CoA C28H50N8O17P3S C(C(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC[N+1](C)(C)C)OP(=O)(O)OP(O)(=O)OCC1(OC(C(O)C1OP(=O)(O)O)n2(c3(c(nc2)c(N)ncn3)))
FORMYL-COA formyl-CoA C22H36N7O17P3S [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC=O)
DEPHOSPHO-COA dephospho-CoA C21H35N7O13P2S C(=O)(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)C(O)1)n2(c3(c(nc2)c(N)ncn3))) 3633-59-8
D-METHYL-MALONYL-COA D-methylmalonyl-CoA C25H40N7O19P3S [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C(O)=O) 104809-02-1
D-CARNITINYL-COA D-carnitinyl-CoA C28H50N8O18P3S C([N+1](C)(C)C)C(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC1(OC(C(O)C1OP(O)(=O)O)n2(c3(c(nc2)c(N)ncn3)))
CROTONYL-COA crotonyl-CoA C25H40N7O17P3S C1(OC(C(C(O)1)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC)(n2(c3(c(nc2)c(N)ncn3))) 102680-35-3 992-67-6
CROTONOBETAINYL-COA crotonobetainyl-CoA C28H48N8O17P3S C(NCCC(=O)NCCSC(=O)C=CC[N+1](C)(C)C)(=O)C(O)C(C)(C)COP(O)(=O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)n2(c3(c(nc2)c(N)ncn3)))
CPD-650 3-hydroxybutyryl-CoA C25H42N7O18P3S C1(OC(C(C(O)1)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C)(n2(c3(c(nc2)c(N)ncn3)))
CPD-207 phenylacetyl-CoA C29H42N7O17P3S CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1(ccccc1))COP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C2OP(O)(O)=O)n3(c4(c(nc3)c(N)ncn4)))
COUMARYL-COA coumaroyl-CoA C30H42N7O18P3S CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1(ccc(O)cc1))COP(=O)(O)OP(=O)(O)OC[CH]2(O[CH]([CH](O)[CH]2OP(O)(O)=O)n3(c4(c(nc3)c(N)ncn4)))
CO-A coenzyme A C21H36N7O16P3S CC(C)(C(O)C(=O)NCCC(=O)NCCS)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)N2(c3(c(N=C2)c(N)ncn3))) 85-61-0
ACETYL-COA acetyl-CoA C23H38N7O17P3S [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(C)=O) 72-89-9
6-CARBOXYHEXANOYL-COA 6-carboxyhexanoyl-CoA C28H46N7O19P3S C(O)(=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC1(OC(C(O)C1OP(O)(=O)O)n2(c3(c(nc2)c(N)ncn3)))
3-METHYL-CROTONYL-COA 3-methylcrotonyl-CoA C26H42N7O17P3S [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C=C(C)C)
2-5-PHOSPHORIBOSYL-3-DEPHOSPHO-COA 2'-(5"-phosphoribosyl)-3'-dephospho-CoA C26H44N7O20P3S CC(C)(C(O)C(=O)NCCC(=O)NCCS)COP(O)(=O)OP(O)(=O)OCC3(OC(N1(c2(c(N=C1)c(N)ncn2)))C(C(O)3)OC4(OC(C(O)C(O)4)COP(=O)(O)O))
TETRA-H-BIOPTERIN tetrahydrobiopterin C9H15N5O3 C1(C(C(O)C(C)O)Nc2(c(N1)nc(N)[nH]c(=O)2)) 17528-72-2
CPD-1302 5-methyltetrahydropteroyltri-L-glutamate C25H36N8O12 C2(OC(=O)C(N)CCC(=O)O)(C1(N(C)C(=CNC=1N=C(N)N=2)C(OC(=O)C(N)CCC(=O)O)C(C)OC(=O)C(N)CCC(O)=O))
CPD-1301 tetrahydropteroyltri-L-glutamate C24H34N8O12 C(=O)(O)CCC(N)C(=O)OC2(C1(NC(=CNC=1N=C(N=2)N)C(OC(=O)C(N)CCC(=O)O)C(C)OC(=O)C(N)CCC(O)=O))
LIPOIC-ACID lipoate C8H14O2S2 C1(CC(SS1)CCCCC(O)=O) 62-46-4
CPD-4 molybdopterin C10H16N5O6PS2 C2(C(C(S)=C(S)C(O)COP(O)(O)=O)Nc1(c(=O)[nH]c(N)nc1N2))
BENZALDEHYDE benzaldehyde C7H6O [CH](=O)c1(ccccc1) 100-52-7
P-NITROPHENOL p-nitrophenol C6H5NO3 c1(c(O)ccc(c1)N(=O)=O) 100-02-7
4-HYDROXY-BENZYL-ALCOHOL 4-hydroxybenzyl alcohol C7H8O2 C(O)C1(=CC=C(O)C=C1) 623-05-2
MELILOTATE melilotate C9H10O3 C(O)(=O)CCc1(c(O)cccc1) 495-78-3
DIHYDROCOUMARIN dihydrocoumarin C9H8O2 C1(CCc2(c(O1)cccc2))(=O) 119-84-6
CIS-DIHYDRODIOL-DERIV-PHEAC cis-dihydrodiol derivative of phenylacetyl-CoA C29H44N7O19P3S CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC1(O)(C(O)C=CC=C1))COP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2OP(O)(O)=O)N3(c4(c(N=C3)c(N)ncn4)))
BENZOATE benzoate C7H5O2 C([O-1])(=O)c1(ccccc1) 65-85-0
4-hydroxybenzoate p-hydroxybenzoate C7H6O3 C(O)(=O)c1(ccc(O)cc1) 99-96-7
5-N-PROPYLTHIOADENOSINE 5'-n-propylthioadenosine C13H19N5O3S CCCSCC1(OC(C(O)C1O)n2(c3(c(nc2)c(N)ncn3)))
5-ETHYLTHIOADENOSINE 5'-ethylthioadenosine C12H17N5O3S CCSCC1(OC(C(O)C1O)N2(c3(c(N=C2)c(N)ncn3)))
GTP GTP C10H16N5O14P3 C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N))) 86-01-1
ATP ATP C10H16N5O13P3 C(OP(O)(=O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3))) 56-65-5
UTP UTP C9H15N2O15P3 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O)) 63-39-8
ITP ITP C10H15N4O14P3 c1(c2(c(nc[nH]1)n(cn2)[CH]3(O[CH]([CH](O)[CH]3O)COP(=O)(O)OP(=O)(O)OP(O)(=O)O)))(=O) 132-06-9
CTP CTP C9H16N3O14P3 c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)OP(O)(=O)OP(O)(=O)O)) 65-47-4
UMP UMP C9H13N2O9P c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(O)(O)=O)) 58-97-9
IMP IMP C10H13N4O8P C(OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]cn3))) 131-99-7
GMP GMP C10H14N5O8P C(OP(=O)(O)O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N))) 85-32-5
CMP CMP C9H14N3O8P c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)O)) 63-37-6
AMP AMP C10H14N5O7P C(OP(O)(=O)O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3))) 61-19-8
GDP GDP C10H15N5O11P2 C(OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N))) 146-91-8
ADP ADP C10H15N5O10P2 C(OP(O)(=O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3))) 58-64-0
UDP UDP C9H14N2O12P2 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(O)(O)=O)) 58-98-0
CDP CDP C9H15N3O11P2 c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)OP(O)(=O)O)) 63-38-7
CGMP cyclic-GMP C10H12N5O7P C2(C1(OC(C(O)C1OP(=O)(O)O2)n3(c4(c(nc3)c(=O)[nH]c(N)n4)))) 7665-99-8
CAMP cyclic-AMP C10H12N5O6P C2(C1(OC(C(O)C1OP(O)(O2)=O)n3(c4(c(nc3)c(N)ncn4)))) 60-92-4
DEOXYNUCLEOTIDESM (deoxynucleotides)(m) NIL
URIDINE uridine C9H12N2O6 c1(n(c(=O)[nH]c(c1)=O)C2(C(O)C(O)C(O2)CO)) C00299 58-96-8
INOSINE inosine C10H12N4O5 C(O)[CH]1(O[CH]([CH](O)[CH]1O)n2(c3(c(nc2)c(=O)[nH]cn3))) C00294 58-63-9
GUANOSINE guanosine C10H13N5O5 C(O)[CH]1(O[CH]([CH](O)[CH]1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N))) C00387 118-00-3
CYTIDINE cytidine C9H13N3O5 [CH]1(O[CH](CO)[CH](O)[CH](O)1)n2(c(=O)nc(N)cc2) 65-46-3
ADENOSINE adenosine C10H13N5O4 C1(C(O)C(O)C(O1)CO)n2(c3(c(nc2)c(N)ncn3)) C00212 58-61-7
THYMIDINE thymidine C10H14N2O5 C(O)C1(OC(CC(O)1)n2(c(=O)[nH]c(=O)c(C)c2)) C00214 50-89-5
DEOXYURIDINE deoxyuridine C9H12N2O5 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(C2)O)CO)) C00526 951-78-0
DEOXYINOSINE deoxyinosine C10H12N4O4 c1(=O)(c2(c(nc[nH]1)n(cn2)[CH]3(O[CH]([CH]([CH2]3)O)CO)))
DEOXYGUANOSINE deoxyguanosine C10H13N5O4 c1(c2(c(nc(N)[nH]1)n(cn2)C3(OC(CO)C(O)C3)))(=O) 961-07-9
DEOXYCYTIDINE deoxycytidine C9H13N3O4 c1(n(c(=O)nc(c1)N)C2(OC(C(C2)O)CO)) C00881 951-77-9
DEOXYADENOSINE deoxyadenosine C10H13N5O3 [CH]1([CH2][CH](O)[CH](O1)CO)n2(c3(c(nc2)c(N)ncn3)) C00559 16373-93-6
TTP dTTP C10H17N2O14P3 Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O)) 365-08-2
DUTP dUTP C9H15N2O14P3 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O)) 1173-82-6
DGTP dGTP C10H16N5O13P3 C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)C1(OC(CC1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N))) 2564-35-4
DCTP dCTP C9H16N3O13P3 c1(n(c(=O)nc(N)c1)C2(OC(C(O)C2)COP(O)(=O)OP(O)(=O)OP(O)(=O)O)) 2056-98-6
DATP dATP C10H16N5O12P3 C(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)C1(OC(CC(O)1)n2(c3(c(nc2)c(N)ncn3))) 1927-31-7
TMP dTMP C10H15N2O8P Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(O)(O)=O)) 365-07-1
DUMP dUMP C9H13N2O8P c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(C2)O)COP(O)(O)=O)) 964-26-1
DGMP dGMP C10H14N5O7P C(OP(O)(O)=O)C1(OC(CC1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N))) 902-04-5
DAMP dAMP C10H14N5O6P C(OP(O)(=O)O)C1(OC(CC(O)1)n2(c3(c(nc2)c(N)ncn3))) 958-09-8
TDP dTDP C10H16N2O11P2 Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(O)(O)=O)) 491-97-4
DUDP dUDP C9H14N2O11P2 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(C2)O)COP(=O)(O)OP(O)(O)=O))
DGDP dGDP C10H15N5O10P2 C(OP(=O)(O)OP(O)(O)=O)C1(OC(CC1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N))) 102783-74-4
DCDP dCDP C9H15N3O10P2 c1(n(c(=O)nc(N)c1)C2(OC(C(O)C2)COP(O)(=O)OP(O)(O)=O)) 800-73-7
DADP dADP C10H15N5O9P2 C(OP(O)(=O)OP(O)(=O)O)C1(OC(CC(O)1)n2(c3(c(nc2)c(N)ncn3))) 2793-06-8
URACIL uracil C4H4N2O2 c1(=O)(cc[nH]c([nH]1)=O) C00106 66-22-8
THYMINE thymine C5H6N2O2 c1(c(C)c(=O)[nH]c(=O)[nH]1) 65-71-4
CYTOSINE cytosine C4H5N3O c1(N)(cc[nH]c(n1)=O) C00380 71-30-7
HYPOXANTHINE hypoxanthine C5H4N4O c12(c(nc[nH]1)c(=O)[nH]cn2) C00262 68-94-0
GUANINE guanine C5H5N5O c12([nH]cnc(c(=O)[nH]c(N)n1)2) 73-40-5
ADENINE adenine C5H5N5 c1(ncnc2(c1N=CN2))(N) 73-24-5
PHOSPHORIBOSYL-ATP phosphoribosyl-ATP C15H25N5O20P4 C(OP(O)(=O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n3(c2(ncn(c(=N)c2nc3)C4(OC(C(O)C(O)4)COP(O)(=O)O))))
PHOSPHORIBOSYL-AMP phosphoribosyl-AMP C15H23N5O14P2 C(OP(O)(=O)O)C1(OC(C(O)C(O)1)n3(c2(ncn(c(=N)c2nc3)C4(OC(C(O)C(O)4)COP(O)(=O)O))))
GUANOSINE-5DP-3DP guanosine 5'-diphosphate,3'-diphosphate C10H17N5O17P4 C(OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C1OP(=O)(O)OP(O)(O)=O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
GDP-TP guanosine 3'-diphosphate 5'-triphosphate C10H18N5O20P5 C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C1OP(=O)(O)OP(O)(O)=O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE GDP-4-dehydro-6-deoxy-D-mannose C16H23N5O15P2 CC1(OC(C(O)C(O)C1=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c4(c(nc3)c(=O)[nH]c(n4)N))))
DI-H-URACIL dihydrouracil C4H6N2O2 C1(NC(=O)NC(=O)C1) 504-07-4
CPD-1094 5-methyl-dCTP C10H18N3O13P3 [CH3]c1([cH]n(c(=O)nc([NH2])1)[CH]2(O[CH]([CH]([OH])[CH2]2)[CH2]OP([OH])(=O)OP([OH])(=O)OP([OH])(=O)[OH]))
CH33ADO 5'-deoxyadenosine C10H13N5O3 CC1(O[CH]([CH](O)[CH]1O)n2(c3(c(nc2)c(N)ncn3)))
CDP-D-GLUCOSE CDP-D-glucose C15H25N3O16P2 c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)OP(O)(=O)OC3(OC(CO)C(O)C(O)C(O)3)))
CDP-CHOLINE CDP-choline C14H27N4O11P2 C(OP(O)(=O)OP(O)(=O)OCC[N+1](C)(C)C)C1(OC(C(O)C1O)n2(c(=O)nc(N)cc2)) 987-78-0
ADENYLOSUCC adenylo-succinate C14H18N5O11P C(OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(ncn3)N[CH](C(O)=O)CC(O)=O))) 19240-42-7
8-HYDROXYDEOXYGUANOSINE-5-TRIPHOSPHAT 8-hydroxydeoxyguanosine 5'-triphosphate C10H16N5O14P3 C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)[CH]1(O[CH]([CH2][CH]1O)n2(c3(c(nc2O)c(=O)[nH]c(n3)N)))
5-METHYLAMINOMETHYL-2-THIOURIDINE 5-methylaminomethyl-2-thiouridine C11H17N3O5S C1(OC(CO)C(O)C(O)1)n2(cc(CNC)c(=O)[nH]c2=S)
5-METHYLAMINOMETHYL-2-SELENOURIDINE 5-methylaminomethyl-2-selenouridine C11H17N3O5Se C(O)C1(OC(C(O)C(O)1)N2(C=C(CNC)C(=O)NC2=[Se]))
2-THIOURIDINE 2-thiouridine C9H12N2O5S c1(n(c(=S)[nH]c(c1)=O)C2(C(O)C(O)C(O2)CO))
2-HYDROXYDEOXYADENOSINE-5-TRIPHOSPHATE 2-hydroxydeoxyadenosine 5'-triphosphate C10H16N5O13P3 C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)[CH]1(O[CH]([CH2][CH]1O)n2(c3(c(nc2)c(N)nc(n3)O)))
XTP XTP C10H15N4O15P3 C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]c([nH]3)=O)))
DITP dITP C10H15N4O13P3 C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)C1(OC(CC1O)n2(c3(c(nc2)c(=O)[nH]cn3)))
DIMP dIMP C10H13N4O7P C(OP(O)(O)=O)C1(OC(CC1O)n2(c3(c(nc2)c(=O)[nH]cn3)))
SUC succinate C4H6O4 C(=O)(O)CCC(O)=O 110-15-6
MAL malate C4H6O5 C(O)(=O)CC(O)C(O)=O C00497 6915-15-7
FUM fumarate C4H4O4 C(O)(=O)C=CC(O)=O 110-17-8
PALMITATE palmitate C16H32O2 C(=O)(O)CCCCCCCCCCCCCCC 57-10-3
PYRUVATE pyruvate C3H4O3 C(=O)(O)C(=O)C 127-17-3
CPD-6001 L-ribose C5H10O5 C1(C(O)C(O)C(O1)CO)(O)
CPD-1790 maltodextrin NIL
XYLOSE D-xylose C5H10O5 C1(C(O)C(O)C(O)C(O1)O) C00181 58-86-6
L-XYLOSE L-xylose C5H10O5 C(O)C(O)C(O)C(O)C=O 609-06-3
GALACTOSE β-D-galactose C6H12O6 C(O)C1(C(O)C(O)C(O)C(O1)O) C00124 59-23-4
D-ARABINOSE D-arabinose C5H10O5 [CH2]1([CH](O)[CH](O)[CH](O)[CH](O1)O) C00216 10323-20-3
ARABINOSE L-arabinose C5H10O5 [CH2]1([CH](O)[CH](O)[CH](O)[CH](O1)O) C00259 147-81-9
SUCROSE sucrose C12H22O11 C(O)C1(OC(CO)C(O)C(O)1)OC2(C(O)C(O)C(O)C(O2)CO) C00089 57-50-1
MALTOSE maltose C12H22O11 C1(OC(CO)C(O)C(O)C(O)1)OC2(C(CO)OC(O)C(O)C(O)2) 69-79-4
LACTOSE lactose C12H22O11 C1(OC(CO)C(O)C(O)C(O)1)OC2(C(CO)OC(O)C(O)C(O)2) 63-42-3
CHITOBIOSE chitobiose C16H28N2O11 C1(C(NC(=O)C)C(O)C(O)C(O1)CO)O[CH]2(C(O)C(NC(=O)C)C(O)OC2CO) 439544
TREHALOSE trehalose C12H22O11 C1(OC(CO)C(O)C(O)C(O)1)OC2(C(O)C(O)C(O)C(O2)CO) 99-20-7
RIBULOSE D-ribulose C5H10O5 C(O)C(O)C(O)C(=O)CO 5556-48-9
RIBOSE D-ribose C5H10O5 C(O)C1(C(O)C(O)C(O1)O) C00121 50-69-1
RHAMNULOSE rhamnulose C6H12O5 [CH]1(O)([CH](O)[CH](O)[CH](O)[CH](C)O1) 14807-05-7
RHAMNOSE L-rhamnose C6H12O5 CC1(C(O)C(O)C(O)C(O1)O) 3615-41-6 10485-94-6
NICOTINAMIDE_RIBOSE nicotinamide riboside C11H15N2O5 c1([n+1](cccc1C(N)=O)[CH]2([CH](O)[CH](O)[CH](O2)CO)) 1341-23-7
MELIBIOSE melibiose C12H22O11 C(O)C1(OC(C(O)C(O)C1O)OCC2(C(O)C(O)C(O)C(O2)O)) 585-99-9
MANNOSE mannose C6H12O6 C(=O)C(O)C(O)C(O)C(O)CO C00159 3458-28-4
MALTOTRIOSE maltotriose C18H32O16 C1(C(O)C(O)C(O)C(O1)CO)OC2(C(O)C(O)C(OC2CO)OC3(C(CO)OC(O)C(O)C(O)3)) C01835 1109-28-0
MALTOTETRAOSE maltotetraose C24H42O21 C(O)C1(OC(C(O)C(O)C1O)OC2(C(CO)OC(C(O)C2O)OC3(C(CO)OC(C(O)C3O)OC4(C(CO)OC(O)C(O)C4O)))) 34612-38-9
L-XYLULOSE L-xylulose C5H10O5 C(O)C(=O)C(O)C(O)CO 527-50-4
L-RIBULOSE L-ribulose C5H10O5 C(O)C(=O)C(O)C(O)CO 2042-27-5
L-LYXOSE L-lyxose C5H10O5 C1(C(O)C(O)C(O)C(O1)O) C01508 1949-78-6
L-FUCULOSE L-fuculose C6H12O5 C[CH](O)[CH](O)[CH](O)C(=O)CO 13074-08-3
L-FUCOSE L-fucose C6H12O5 C1(C(O)C(O)C(O)C(C)O1)(O) C01019 6696-41-9
GLC β-D-glucose C6H12O6 C(O)C1(C(O)C(O)C(O)C(O1)O) 50-99-7
GALACTITOL galactitol C6H14O6 C(O)C(O)C(O)C(O)C(O)CO C01697 608-66-2
FRU fructose C6H12O6 C(O)C1(C(O)C(O)C(O)(O1)CO) 30237-26-4
D-XYLULOSE xylulose C5H10O5 C(O)C(O)C(O)C(=O)CO 551-84-8
D-MANNONATE D-mannonate C6H12O7 C(=O)(O)[CH](O)[CH](O)[CH](O)[CH](O)CO
CPD-227 D-Lyxose C5H10O5 C1(C(O)C(O)C(O)C(O1)O) 1114-34-7
CPD-1142 salicin C13H18O7 C(O)c1(cc(ccc1)OC2(C(O)C(O)C(O)C(O2)CO)) 138-52-3
CPD-1141 arbutin C12H16O7 C1(C(O)C(O)C(O)C(O1)CO)OC2(=CC=C(O)C=C2) C06186 497-76-7
CELLOBIOSE cellobiose C12H22O11 C1(OC(CO)C(C(O)C(O)1)OC2(OC(CO)C(O)C(O)C(O)2))(O) 528-50-7 16462-44-5
ALPHA-D-GALACTOSE α-D-galactose C6H12O6 C(O)C1(C(O)C(O)C(O)C(O1)O)
ALLOSE D-allose C6H12O6 [CH]1([CH](O)[CH](O)[CH](O)[CH](O1)CO)(O) 6038-51-3
ALLOLACTOSE allolactose C1(OC(CO)C(O)C(O)C(O)1)OCC2(C(O)C(O)C(O)C(O)O2) 28447-39-4
4-AMINO-4-DEOXY-L-ARABINOSE 4-amino-4-deoxy-L-arabinose C5H11NO4 C1(C(N)C(O)C(O)C(O1)O)
UDP-OHMYR-GLUCOSAMINE UDP-3-O-(3-hydroxymyristoyl)glucosamine C29H51N3O18P2 CCCCCCCCCCCC(O)CC(=O)OC1(C(N)C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
UDP-OHMYR-ACETYLGLUCOSAMINE UDP-3-O-(3-hydroxymyristoyl)-N-acetylglucosamine C31H53N3O19P2 CCCCCCCCCCCC(O)CC(=O)OC1(C(NC(=O)C)C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
UDP-N-ACETYLMURAMATE UDP-N-acetylmuramate C20H31N3O19P2 CC(=O)NC1(C(OC(CO)C(O)C1OC(C)C(O)=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
UDP-N-ACETYL-D-GLUCOSAMINE UDP-N-acetyl-D-glucosamine C17H27N3O17P2 C(C1(OC(C(O)C(O)1)n2(c(=O)[nH]c(=O)cc2)))OP(O)(=O)OP(O)(=O)OC3(C(NC(=O)C)C(O)C(O)C(O3)CO) 528-04-1
UDP-MANNACA UDP-N-acetyl-D-mannosaminouronate C17H25N3O18P2 CC(=O)NC1(C(OC(C(O)=O)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
UDP-MANNAC UDP-N-acetyl-D-mannosamine C17H27N3O17P2 CC(=O)NC1(C(OC(CO)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
UDP-GLUCOSE UDP-D-glucose C15H24N2O17P2 C1(C(O)C(O)C(O)C(O1)CO)OP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C(O)2)n3(c(=O)[nH]c(=O)cc3)) 133-89-1
UDP-GLACTOSE UDP-galactose C15H24N2O17P2 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)CO))) 2956-16-3
UDP-D-GALACTO-14-FURANOSE UDP-D-galacto-1,4-furanose C15H24N2O17P2 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(O[CH](C(O)C3O)C(O)CO)))
UDP-ACETYLMURAMOYL-ALA UDP-N-acetylmuramoyl-L-alanine C23H36N4O20P2 CC(=O)NC1(C(OC(CO)C(O)C1OC(C)C(=O)NC(C)C(O)=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
UDP-ACETYL-CARBOXYVINYL-GLUCOSAMINE UDP-GlcNAc-pyruvate enol ether C20H29N3O19P2 C=C(C(O)=O)OC1(C(NC(=O)C)C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
UDP-AAGM-DIAMINOHEPTANEDIOATE UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate C35H54N7O26P2 CC(=O)NC1(C(OC(C)C(=O)NC(C)C(=O)NC(C(O)=O)CCC(=O)NC(C(O)=O)CCCC(N)C(O)=O)C(O)C(CO)OC1OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
UDP-AA-GLUTAMATE UDP-N-acetylmuramoyl-L-alanyl-D-glutamate C28H43N5O23P2 CC(=O)NC1(C(OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(C(O)=O)CCC(O)=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
OH-MYRISTOYL UDP-2,3-bis(3-hydroxymyristoyl)glucosamine C43H77N3O20P2 CCCCCCCCCCCC(O)CC(=O)NC3(C(OP(O)(=O)OP(O)(=O)OCC1(OC(C(O)C(O)1)n2(c(=O)[nH]c(=O)cc2)))OC(CO)C(O)C3OC(=O)CC(O)CCCCCCCCCCC)
C3 UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine C40H65N9O26P2 CC(=O)NC1(C(OC(C)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(O)=O)C(O)C(CO)OC1OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
C1 UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate- D-alanyl-D-alanine C41H65N9O28P2 CC(=O)NC1(C(C(O)C(CO)OC1OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))OC(C)C(=O)NC(C)C(=O)NC(C(O)=O)CCC(=O)NC(CCCC(N)C(O)=O)C(=O)NC(C)C(=O)NC(C)C(O)=O)
UDP-GLUCURONATE UDP-D-glucuronate C15H22N2O18P2 C1(C(O)C(O)C(O)C(O1)C(=O)O)OP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C(O)2)n3(c(=O)[nH]c(=O)cc3)) 2616-64-0
ADENOSINE_DIPHOSPHATE_RIBOSE adenosine diphosphate ribose C15H23N5O14P2 C(OP(O)(=O)OP(=O)(O)OC1(OC(CO)C(O)C(O)1))C2(OC(C(O)C(O)2)n3(c4(c(nc3)c(N)ncn4))) 20762-30-5
XYLULOSE-5-PHOSPHATE D-xylulose-5-phosphate C5H11O8P C(O)C(=O)C(O)C(O)COP(O)(=O)O 60802-29-1
UDP-4-AMINO-4-DEOXY-L-ARABINOSE UDP-L-Ara4N C14H23N3O15P2 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(N)CO3)))
TREHALOSE-6P trehalose 6-phosphate C12H23O14P C1(OC(COP(O)(=O)O)C(O)C(O)C(O)1)(OC2(OC(CO)C(O)C(O)C(O)2)) 4484-88-2
TAGATOSE-6-PHOSPHATE tagatose-6-phosphate C6H13O9P C(OP(O)(=O)O)C1(C(O)C(O)C(O1)(O)CO)
TAGATOSE-1-6-DIPHOSPHATE tagatose-1,6-bisphosphate C6H14O12P2 C(OP(O)(=O)O)C1(OC(C(O)C(O)1)(O)COP(O)(=O)O)
RIBULOSE-5P D-ribulose-5-phosphate C5H11O8P C(O)C(=O)C(O)C(O)COP(O)(=O)O 4151-19-3
RIBOSE-5P D-ribose-5-phosphate C5H11O8P C(=O)C(O)C(O)C(O)COP(O)(=O)O 3615-55-2
RIBOSE-1P ribose-1-phosphate C5H11O8P C(O)[CH]1(O[CH](OP(O)(O)=O)[CH](O)[CH](O)1) 14075-00-4
RHAMNULOSE-1P rhamnulose-1-phosphate C6H13O8P [CH]1([CH](O)[CH](O)[CH](O)[CH](C)O1)(OP(O)(O)=O) 444-09-7
NACMUR N-acetylmuramate C11H19NO8 C1(O)(C([NH]C(C)=O)C(C(O)C(O1)CO)O[CH](C)C(O)=O)
N-ACETYL-D-MANNOSAMINE N-acetylmannosamine C8H15NO6 C(=O)(C)N[CH]1([CH](O)O[CH](CO)[CH](O)[CH](O)1) C00645 4773-29-9
N-ACETYL-D-GLUCOSAMINE-6-P N-acetyl-D-glucosamine-6-phosphate C8H16NO9P CC(=O)NC1(C(O)C(O)C(OC1O)COP(O)(O)=O) 102029-88-9
N-ACETYL-D-GLUCOSAMINE N-acetyl-D-glucosamine C8H15NO6 CC(=O)NC1(C(O)C(O)C(CO)OC1O) C03000 7512-17-6
MANNOSE-6P mannose-6-phosphate C6H13O9P C(OP(O)(O)=O)C1(C(O)C(O)C(O)C(O1)O) 3672-15-9
MANNOSE-1P mannose-1-phosphate C6H13O9P C(O)C1(OC(OP(O)(O)=O)C(O)C(O)C1O) 27251-84-9
L-XYLULOSE-5-P L-xylulose-5-phosphate C5H11O8P C(O)C(=O)C(O)C(O)COP(O)(O)=O
L-RIBULOSE-5-P L-ribulose-5-phosphate C5H11O8P C(OP(O)(O)=O)C(O)C(O)C(=O)CO 2922-69-2
L-ASCORBATE-6-PHOSPHATE L-ascorbate-6-phosphate C6H9O9P C(OP(O)(O)=O)C(O)C1(C(O)=C(O)C(O1)=O)
GUANOSINE_DIPHOSPHATE_FUCOSE guanosine diphosphate fucose C16H25N5O15P2 C(OP(O)(=O)OP(O)(=O)OC1(C(O)C(O)C(O)C(C)O1))C2(OC(C(O)C(O)2)n3(c4(c(nc3)c(=O)[nH]c(N)n4))) 15839-70-0
GLUCOSAMINE glucosamine C6H13NO5 [CH]1(O)(O[CH](CO)[CH](O)[CH](O)[CH](N)1) 3416-24-8
GLC-6-P β-D-glucose-6-phosphate C6H13O9P C1(OC(COP(O)(=O)O)C(O)C(O)C(O)1)(O) C00092 56-73-5
GLC-1-P α-D-glucose-1-phosphate C6H13O9P C(O)C1(OC(OP(O)(O)=O)C(O)C(O)C1O) 59-56-3
GDP-MANNOSE GDP-mannose C16H25N5O16P2 C(O)C1(OC(C(O)C(O)C(O)1)OP(O)(=O)OP(O)(=O)OCC2(OC(C(O)C(O)2)n3(c4(c(nc3)c(=O)[nH]c(N)n4)))) 18441-12-8 3123-67-9
GDP-D-GLUCOSE GDP-D-glucose C16H25N5O16P2 C(O)C1(OC(C(O)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c4(c(nc3)c(=O)[nH]c(n4)N))))
GDP-4-DEHYDRO-6-L-DEOXYGALACTOSE GDP-4-dehydro-6-L-deoxygalactose C16H23N5O15P2 CC1(OC(C(O)C(O)C1=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c4(c(nc3)c(=O)[nH]c(n4)N))))
GALACTOSE-1P α-D-galactose-1-phosphate C6H13O9P C(O)C1(OC(OP(O)(O)=O)C(O)C(O)C1O) 2255-14-3
FUCULOSE-1P fuculose-1-phosphate C6H13O8P C1(C(O)C(O)C(O)C(C)O1)(OP(O)(=O)O) 92418-41-2
FRUCTOSELYSINE-6-PHOSPHATE fructoselysine-6-phosphate C12H24N2O10P [CH2]1(C(=O)[CH](O)[CH](O)[CH](O1)COP(=O)(O)O)NCCCC[CH](N)C(O)=O
FRUCTOSE-6P D-fructose-6-phosphate C6H13O9P C(O)C1(O)(OC(C(O)C1O)COP(O)(O)=O) 643-13-0
FRUCTOSE-16-DIPHOSPHATE fructose-1,6-bisphosphate C6H14O12P2 C(OP(O)(O)=O)C1(OC(O)(C(O)C1O)COP(O)(O)=O) 488-69-7
FRU1P fructose-1-phosphate C6H13O9P C(OP(O)(O)=O)C1(O)(O[CH](CO)[CH](O)[CH](O)1) 15978-08-2
ERYTHROSE-4P D-erythrose-4-phosphate C4H9O7P C(=O)C(O)C(O)COP(O)(=O)O 585-18-2
ERYTHRONATE-4P erythronate-4-phosphate C4H8O8P C([O-1])(=O)C(O)C(O)COP(O)(O)=O
DTDP-RHAMNOSE dTDP-α-L-rhamnose C16H26N2O15P2 Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)C)))
DTDP-DEOH-DEOXY-MANNOSE dTDP-4-dehydro-6-deoxy-L-mannose C16H24N2O15P2 Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(=O)C(O3)C)))
DTDP-DEOH-DEOXY-GLUCOSE dTDP-4-dehydro-6-deoxy-D-glucose C16H24N2O15P2 Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(=O)C(O3)C)))
DTDP-D-GLUCOSE dTDP-D-glucose C16H26N2O16P2 Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)CO)))
DEOXYXYLULOSE-5P 1-deoxy-D-xylulose 5-phosphate C5H11O7P C(OP(=O)(O)O)C(O)C(O)C(C)=O
DEOXY-RIBOSE-5P deoxyribose-5-phosphate C5H11O7P C(OP(=O)(O)O)[CH]1([CH](O)[CH2][CH](O)O1) 102916-66-5
DEOXY-RIBOSE-1P deoxyribose-1-phosphate C5H11O7P [CH]1(O[CH](CO)[CH](O)[CH2]1)(OP(O)(O)=O) 17210-42-3
D-SEDOHEPTULOSE-7-P D-sedoheptulose-7-phosphate C7H15O10P C(OP(O)(O)=O)C(O)C(O)C(O)C(O)C(=O)CO 2646-35-7
D-RIBULOSE-1-P D-ribulose-1-phosphate C5H11O8P C(O)C(O)C(O)C(=O)COP(O)(O)=O
D-ALLULOSE-6-PHOSPHATE D-allulose-6-phosphate C6H13O9P C(O)C(=O)[CH](O)[CH](O)[CH](O)COP(O)(O)=O
D-ALLOSE-6-PHOSPHATE D-allose-6-phosphate C6H13O9P C(OP(O)(O)=O)[CH]1([CH](O)[CH](O)[CH](O)[CH](O)O1)
CPD-1181 salicin-6-phosphate C13H19O10P [CH2]([OH])c1(c([cH][cH][cH][cH]1)O[CH]2(O[CH]([CH]([OH])[CH]([OH])[CH]([OH])2)[CH2]OP([OH])(=O)[OH]))
CPD-1162 arbutin-6-phosphate C12H17O10P C(OP(O)(O)=O)C1(OC(C(O)C(O)C1O)Oc2(ccc(O)cc2))
CPD-1161 cellobiose-6-phosphate NIL
CPD-1093 1-deoxy-D-xylulose C5H10O4 CC(=O)C(O)C(O)CO
CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P 1-(o-carboxyphenylamino)-1'-deoxyribulose-5'-phosphate C12H16NO9P C(OP(O)(O)=O)C(O)C(O)C(=O)CNc1(c(C(O)=O)cccc1)
ARABINOSE-5P D-arabinose 5-phosphate C5H11O8P C(OP(O)(=O)O)C(O)C(O)C(O)C=O 13137-52-5
ALPHA-GLC-6-P α-D-glucose-6-phosphate C6H13O9P C(OP(O)(O)=O)C1(C(O)C(O)C(O)C(O1)O) C00092 56-73-5
ADP-D-GLUCOSE ADP-D-glucose C16H25N5O15P2 C1(C(O)C(O)C(O)C(O1)CO)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C(O)2)n3(cnc4(c3c(N)ncn4))) 2140-58-1
ACETYLMALTOSE acetylmaltose C14H24O12 C1(OC(CO)C(O)C(O)C(O)1)OC2(C(CO)OC(OC(=O)C)C(O)C(O)2)
6P-GLUCOSIDE-GLUCOSE 6-phospho-β-D-glucoside-(1,4)-D-glucose C12H23O14P C(O)C1(C(C(O)C(O)C(O1)O)OC2(OC(C(O)C(O)C2O)COP(O)(O)=O))
5-BETA-L-THREO-PENTAPYRANOSYL-4-ULOSE- UDP-L-Ara4O C14H20N2O16P2 c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(=O)CO3)))
25-DIKETO-D-GLUCONATE 2,5-diketo-D-gluconate C6H8O7 C(O)(=O)C(=O)C(O)C(O)C(=O)CO
2-KETO-L-GULONATE 2-keto-L-gulonate C6H10O7 C(O)(=O)C(=O)C(O)C(O)C(O)CO
TYR L-tyrosine C9H11NO3 C(O)(=O)C(N)Cc1(ccc(O)cc1) C00082 60-18-4
TRP L-tryptophan C11H12N2O2 c1(c(CC(N)C(=O)O)c2(c([nH]1)cccc2)) C00078 6912-86-3 73-22-3
PHE L-phenylalanine C9H11NO2 C(O)(=O)C(N)Cc1(ccccc1) C00079 63-91-2 3617-44-5
VAL L-valine C5H11NO2 CC(C)C(N)C(=O)O C00183 72-18-4
THR L-threonine C4H9NO3 CC(O)C(N)C(=O)O C00188 72-19-5
SER L-serine C3H7NO3 C(=O)(O)[CH](N)CO C00065 56-45-1
PRO L-proline C5H9NO2 C(=O)(O)[CH]1(CCCN1) C00148 147-85-3
MET L-methionine C5H11NO2S C(SC)CC(N)C(O)=O C00073 63-68-3 7005-18-7
LYS L-lysine C6H14N2O2 C(N)CCCC(N)C(O)=O 56-87-1
LEU L-leucine C6H13NO2 CC(C)CC(N)C(=O)O C00123 7005-03-0 61-90-5
L-ASPARTATE L-aspartate C4H7NO4 C(O)(=O)[CH](N)CC(O)=O 56-84-8
L-ALPHA-ALANINE L-alanine C3H7NO2 C(O)(=O)C(N)C C00041 6898-94-8 56-41-7
ILE L-isoleucine C6H13NO2 CC(CC)C(N)C(O)=O C00407 7004-09-3
HIS L-histidine C6H9N3O2 C(O)(=O)[CH](N)Cc1(nc[nH]c1) 71-00-1 7006-35-1
GLY glycine C2H5NO2 C(=O)(O)CN C00037 56-40-6
GLT L-glutamate C5H9NO4 C(=O)(O)CCC(N)C(O)=O 56-86-0
GLN L-glutamine C5H10N2O3 C(N)(=O)CCC(N)C(O)=O C00064 6899-04-3
CYS L-cysteine C3H7NO2S C(S)C(N)C(O)=O 4371-52-2 52-90-4
ASN L-asparagine C4H8N2O3 C(N)(=O)CC(N)C(O)=O C00152 70-47-3 7006-34-0
ARG L-arginine C6H14N4O2 C(NC(N)=N)CC[CH](N)C(O)=O 74-79-3 7004-12-8
GAMMA-BUTYROBETAINE γ-butyrobetaine C7H15NO2 C([N+1](C)(C)C)CCC(=O)[O-1]
N-METHYLTRYPTOPHAN N-methyltryptophan C12H14N2O2 C(=O)(O)C(NC)Cc1(c2(c([nH]c1)cccc2))
GLUTAMIDE glutamide C5H10N2O3 C(O)(=O)C(N)CCC(=O)N 56-85-9
D-THREONINE D-threonine C4H9NO3 CC(O)C(N)C(=O)O C00820 632-20-2
D-GLT D-glutamate C5H9NO4 C(=O)(O)CCC(N)C(O)=O C00217 6893-26-1
D-CYSTEINE D-cysteine C3H7NO2S C(=O)(O)C(N)CS
D-ALANINE D-alanine C3H7NO2 C(O)(=O)C(N)C C00133 338-69-2
CPD-302 D-Aspartate C4H7NO4 C(=O)(O)C(N)CC(=O)O C00402 1783-96-6
CPD-218 D-methionine C5H11NO2S C(SC)CC(N)C(O)=O C00855 348-67-4
CPD-216 D-phenylalanine C9H11NO2 C(=O)(O)C(N)Cc1(ccccc1) 673-06-3
UDP-MURNAC-TETRAPEPTIDE UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine C38H60N8O27P2 CC(=O)NC1(C(OC(C)C(=O)NC(C)C(=O)NC(C(O)=O)CCC(=O)NC(C(=O)NC(C)C(O)=O)CCCC(N)C(O)=O)C(O)C(CO)OC1OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
S-ADENOSYLMETHIONINE S-adenosyl-L-methionine C15H23N6O5S C(CC(N)C(O)=O)[S+1](C)CC1(O[CH]([CH](O)[CH]1O)N2(c3(c(N=C2)c(N)ncn3))) 29908-03-0
PHOSPHOTHREONINE phosphothreonine C4H10NO6P C(=O)(O)C(N)C(C)OP(=O)(O)O NIL 1114-81-4
PHOSPHO-HYDROXY-THREONINE phospho-hydroxy-threonine C4H9NO7P C([O-1])(=O)C(N)C(O)COP(=O)(O)O
O-SUCCINYL-L-HOMOSERINE O-succinyl-L-homoserine C8H13NO6 C(=O)(O)C(N)CCOC(=O)CCC(=O)O 1492-23-5
O-PHOSPHO-L-HOMOSERINE O-phospho-L-homoserine C4H10NO6P C(O)(=O)C(N)CCOP(O)(=O)O
N-ACETYLGLUTAMATE_SEMIALDEHYDE N-acetylglutamate semialdehyde C7H11NO4 C(=O)CCC(C(=O)O)NC(C)=O
L-SELENOCYSTEINE L-selenocysteine C3H7NO2Se C(=O)(O)C(N)C[SeH]
L-ORNITHINE L-ornithine C5H12N2O2 C(N)CCC(N)C(O)=O 70-26-8 7006-33-9
L-METHIONINE_SULFOXIDE L-methionine sulfoxide C5H11NO3S C(O)(=O)C(N)CCS(C)=O C02989 454-41-1
L-GLUTAMATE_GAMMA-SEMIALDEHYDE L-glutamate γ-semialdehyde C5H9NO3 C(=O)(O)C(N)CCC=O
L-GAMMA-GLUTAMYLCYSTEINE L-γ-glutamylcysteine C8H14N2O5S C(O)(=O)C(N)CCC(=O)NC(CS)C(O)=O 686-58-8
L-BETA-ASPARTYL-P L-aspartyl-4-phosphate C4H8NO7P C(=O)(OP(=O)(O)O)CC(N)C(O)=O 22138-53-0
L-AZASERINE L-azaserine C5H7N3O4 C(C=[N+1]=[N-1])(=O)OCC(N)C(O)=O 115-02-6
L-ASPARTATE-SEMIALDEHYDE L-aspartate-semialdehyde C4H7NO3 [CH](=O)CC(N)C(O)=O 15106-57-7
L-ALA-D-GLU-MESOA2PM L-Ala-D-Glu-meso-A2pm C15H26N4O8 CC(N)C(=O)NC(C(O)=O)CCC(=O)NC(C(O)=O)CCCC(N)C(O)=O
HOMOSERINE-LACTONE homoserine lactone C4H7NO2 C1(OC(=O)C(C1)N)
HOMO-SER homoserine C4H9NO3 C(O)(=O)[CH](N)CCO C00263 498-19-1
HOMO-CYS homocysteine C4H9NO2S C(S)CC(N)C(=O)O 454-28-4
FRUCTOSELYSINE fructoselysine C12H23N2O7 C(O)[CH]1(O[CH2](C(=O)[CH](O)[CH]1O)NCCCC[CH](N)C(=O)O)
D-TYROSYL-TRNATYR D-tyrosyl-tRNATyr NIL
D-ALA-D-ALA D-alanyl-D-alanine C6H12N2O3 CC(N)C(=O)NC(C)C(O)=O 923-16-0
CYSTINE cystine C6H12N2O4S2 C(C(N)C(=O)O)SSCC(N)C(O)=O 24645-67-8
CARBAMYUL-L-ASPARTATE carbamoyl-L-aspartate C5H8N2O5 C(=O)(O)CC(C(O)=O)NC(N)=O 16649-79-9
B-ALANINE β-alanine C3H7NO2 C(O)(=O)CCN C00099 107-95-9
ALLO-THR allothreonine C4H9NO3 CC(O)C(N)C(=O)O 2676-21-3
ADENOSYL-HOMO-CYS S-adenosyl-homocysteine C14H20N6O5S C(CC(N)C(O)=O)SC[CH]1(O[CH]([CH](O)[CH]1O)N2(c3(c(N=C2)c(N)ncn3))) 979-92-0
ACETYL-GLU N-acetyl-L-glutamate C7H11NO5 CC(=O)NC(C(O)=O)CCC(O)=O C00624 1188-37-0
6-DIAZO-5-OXO-L-NORLEUCINE 6-diazo-5-oxo-L-norleucine C6H9N3O3 C(=[N+1]=[N-1])C(=O)CCC(N)C(=O)O 764-17-0
5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE 5-phosphoribosyl-n-formylglycineamidine C8H16N3O8P C(=N)(CNC=O)N[CH]1(O[CH]([CH](O)[CH](O)1)COP(=O)(O)O)
5-PHOSPHO-RIBOSYL-GLYCINEAMIDE 5-phospho-ribosyl-glycineamide C7H15N2O8P C(CN)(=O)N[CH]1(O[CH]([CH](O)[CH](O)1)COP(O)(=O)O)
5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE 5'-phosphoribosyl-N-formylglycineamide C8H15N2O9P C(=O)(CNC=O)N[CH]1(O[CH]([CH](O)[CH](O)1)COP(=O)(O)O)
3-SULFINOALANINE 3-sulfinoalanine C3H7NO4S C(=O)(O)C(N)CS(=O)O C00606 1115-65-7
3-P-SERINE 3-phospho-serine C3H8NO6P C(C(N)C(O)=O)OP(O)(=O)O 17885-08-4
4-AMINO-BUTYRALDEHYDE 4-amino-butyraldehyde C4H9NO C(=O)CCCN 4390-05-0
N-ACETYLSPERMIDINE an N-acetylspermidine C9H21N3O CC(=O)NCCCNCCCCN
SPERMINE spermine C10H26N4 C(CCN)NCCCCNCCCN 71-44-3
SPERMIDINE spermidine C7H19N3 C(N)CCCNCCCN 124-20-9
PUTRESCINE putrescine C4H12N2 C(N)CCCN 110-60-1
AGMATHINE agmatine C5H14N4 C(NC(N)=N)CCCN 306-60-5
PHENYLETHYLAMINE phenylethylamine C8H11N C(N)Cc1(ccccc1) 64-04-0