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CHEBI:71038 - 3-hydroxyadipyl-CoA

ChEBI IDCHEBI:71038
ChEBI Name3-hydroxyadipyl-CoA
Stars
DefinitionAn acyl-CoA that results from formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 3-hydroxyadipic acid.
Last Modified8 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC27H44N7O20P3S
Net Charge0
Average Mass911.667
Monoisotopic Mass911.15747
SMILESCC(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
InChIInChI=1S/C27H44N7O20P3S/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/h12-15,20-22,26,35,40-41H,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)/t14?,15-,20-,21-,22+,26-/m1/s1
InChIKeyOTEACGAEDCIMBS-FOLKQPSDSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyadipyl-CoA (CHEBI:71038) is a 3-hydroxyacyl-CoA (CHEBI:65260)
3-hydroxyadipyl-CoA (CHEBI:71038) is conjugate acid of 3-hydroxyadipyl-CoA(5−) (CHEBI:70990)
Incoming Relation(s)
3-hydroxyadipyl-CoA(5−) (CHEBI:70990) is conjugate base of 3-hydroxyadipyl-CoA (CHEBI:71038)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxy-3-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
3-hydroxyadipoyl-CoAChEBI
S-(5-carboxy-3-hydroxypentanoyl)-coenzyme AChEBI
3-hydroxyadipoyl-coenzyme AChEBI
S-(5-carboxy-3-hydroxypentanoyl)-CoAChEBI
Manual XrefsDatabases
3-HYDROXYADIPYL-COAMetaCyc