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3-oxoadipyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1105939

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	7

formula

C₂₇H₃₇N₇O₂₀P₃S

charge

-5

mass

904.10544

reference

chebi:57348

InChIKey

VKKKAAPGXHWXOO-BIEWRJSYSA-I

InChI

InChI=1S/C27H42N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15,20-22,26,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t15-,20-,21-,22+,26-/m1/s1

SMILES

CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57348 chebi:57348	3-oxoadipyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxylato-3-oxopentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} 3-oxoadipyl-CoA(5-)
bigg.metabolite:oxadpcoa biggM:oxadpcoa sabiork.compound:6080 sabiorkM:6080	3-Oxoadipyl-CoA
seed.compound:cpd01507 seedM:cpd01507	3-Oxoadipyl-CoA 3-keto-adipyl-coa 3-ketoadipyl-CoA 3-oxoadipyl-CoA beta-Ketoadipyl-CoA beta-ketoadipyl-CoA oxadpcoa
hmdb:HMDB0060378	3-Oxoadipyl-CoA 6-({2-[(3-{[(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-4,6-dioxohexanoic acid 6-({2-[(3-{[(2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-4,6-dioxohexanoic acid S-(5-Carboxy-3-oxopentanoyl)-coenzyme A b-Ketoadipyl-CoA beta-Ketoadipyl-CoA beta-ketoadipyl-CoA
kegg.compound:C02232 keggC:C02232	3-Oxoadipyl-CoA beta-Ketoadipyl-CoA
CHEBI:15490 chebi:15490	3-oxoadipyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxy-3-oxopentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 3-Oxoadipyl-CoA S-(5-carboxy-3-oxopentanoyl)-coenzyme A beta-Ketoadipyl-CoA
lipidmaps:LMFA07050237 lipidmapsM:LMFA07050237	3-oxoadipyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxy-3-oxopentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 6:2 O3 S-(5-carboxy-3-oxopentanoyl)-coenzyme A
metacyc.compound:3-KETO-ADIPYL-COA metacycM:3-KETO-ADIPYL-COA	3-oxoadipyl-CoA 3-keto-adipyl-coa 3-ketoadipyl-CoA beta-ketoadipyl-CoA
hmdb:HMDB60378 chebi:11872 chebi:1632 chebi:20164 biggM:M_oxadpcoa keggC:M_C02232 seedM:M_cpd01507	secondary/obsolete/fantasy identifier