adipoyl-CoA (CHEBI:34528)

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CHEBI:34528 - adipoyl-CoA

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ChEBI ID	CHEBI:34528
ChEBI Name	adipoyl-CoA
Stars
Definition	An α,ω dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of adipic acid.
Last Modified	3 August 2014
Downloads	Molfile

Formula	C27H44N7O19P3S
Net Charge	0
Average Mass	895.668
Monoisotopic Mass	895.16255
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
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)/t15-,20-,21-,22+,26-/m1/s1
InChIKey	SPNAEHGLBRRCGL-BIEWRJSYSA-N

Roles Classification

acyl donor Any donor that can transfer acyl groups between molecular entities.

ChEBI Ontology

Outgoing Relation(s)
	adipoyl-CoA (CHEBI:34528) has functional parent adipic acid (CHEBI:30832)
	adipoyl-CoA (CHEBI:34528) has functional parent hexanoyl-CoA (CHEBI:27540)
	adipoyl-CoA (CHEBI:34528) is a ω-carboxyacyl-CoA (CHEBI:37555)
	adipoyl-CoA (CHEBI:34528) is conjugate acid of adipoyl-CoA(5−) (CHEBI:76327)
Incoming Relation(s)
	cis-3,4-didehydroadipoyl-CoA (CHEBI:49179) has functional parent adipoyl-CoA (CHEBI:34528)
	cis-3,4-didehydroadipoyl-CoA semialdehyde (CHEBI:49180) has functional parent adipoyl-CoA (CHEBI:34528)
	trans-2,3-didehydroadipoyl-CoA (CHEBI:49295) has functional parent adipoyl-CoA (CHEBI:34528)
	2-hydroxyadipoyl-CoA (CHEBI:49303) has functional parent adipoyl-CoA (CHEBI:34528)
	5-oxo-furan-2-acetyl-CoA (CHEBI:49304) has functional parent adipoyl-CoA (CHEBI:34528)
	adipoyl-CoA(5−) (CHEBI:76327) is conjugate base of adipoyl-CoA (CHEBI:34528)

IUPAC Name
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}

Synonyms	Source
Adipyl-CoA	KEGG COMPOUND
5-Carboxypentanoyl-CoA	KEGG COMPOUND
adipoyl-coenzyme A	ChEBI
5-carboxypentanoyl-coenzyme A	ChEBI

Manual Xrefs	Databases
C14143	KEGG COMPOUND
HMDB0004047	HMDB