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hexanedioyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104115

	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	11

formula

C₂₇H₃₉N₇O₁₉P₃S

charge

-5

mass

890.12617

reference

chebi:76327

InChIKey

SPNAEHGLBRRCGL-BIEWRJSYSA-I

InChI

InChI=1S/C27H44N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h13-15,20-22,26,39-40H,3-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/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)CCCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76327 chebi:76327	hexanedioyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxylatopentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} adipoyl-CoA(5-) adipoyl-coenzyme A(5-) hexanedioyl-CoA(5-) hexanedioyl-coenzyme A(5-)
bigg.metabolite:adpcoa biggM:adpcoa	Adipoyl-CoA 5-Carboxypentanoyl-CoA
hmdb:HMDB0004047	Adipoyl-CoA 5-Carboxypentanoyl-CoA 5-Carboxypentanoyl-coenzyme A 6-[(2-{3-[(2R)-3-[({[({[(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)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-6-oxohexanoic acid Adipoyl-coenzyme A Adipyl-CoA S-(Hydrogen hexanedioate S-(Hydrogen hexanedioate)CoA S-(Hydrogen hexanedioate)coenzyme A S-(Hydrogen hexanedioic acid
lipidmaps:LMFA07050284 lipidmapsM:LMFA07050284	Adipoyl-CoA 6-[(2-{3-[(2R)-3-[({[({[(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)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-6-oxohexanoic acid CoA 6:1 O2
sabiork.compound:20699 sabiorkM:20699 kegg.compound:C14143 keggC:C14143	Adipyl-CoA 5-Carboxypentanoyl-CoA
seed.compound:cpd09842 seedM:cpd09842	Adipyl-CoA 5-Carboxypentanoyl-CoA C6:0-CARBOXYCOA
SLM:000389481 slm:000389481	Hexanedioyl-CoA
CHEBI:34528 chebi:34528	adipoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 5-Carboxypentanoyl-CoA 5-carboxypentanoyl-coenzyme A Adipyl-CoA adipoyl-coenzyme A
hmdb:HMDB04047 biggM:M_adpcoa keggC:M_C14143 seedM:M_cpd09842	secondary/obsolete/fantasy identifier