CHEBI:34528 - adipoyl-CoA

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ChEBI Name adipoyl-CoA
ChEBI ID CHEBI:34528
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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000096068397
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Formula C27H44N7O19P3S
Net Charge 0
Average Mass 895.66132
Monoisotopic Mass 895.16255
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
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC(O)=O
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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)
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)
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 Sources
5-Carboxypentanoyl-CoA KEGG COMPOUND
5-carboxypentanoyl-coenzyme A ChEBI
adipoyl-coenzyme A ChEBI
Adipyl-CoA KEGG COMPOUND
Manual Xrefs Databases
C14143 KEGG COMPOUND
HMDB0004047 HMDB
View more database links
Last Modified
04 August 2014
General Comment
2011-08-19 Formed in the endoplasmic reticulum as the degradation beta-oxidation product of the dicarboxylic acid formed via ω-oxidation of fatty acids.