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CHEBI:34002 - (3S)-3-Hydroxyadipyl-CoA

ChEBI IDCHEBI:34002
ChEBI Name(3S)-3-Hydroxyadipyl-CoA
Stars
Last Modified3 October 2025
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(O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](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+/m0/s1
InChIKeyOTEACGAEDCIMBS-PXUUTJOASA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-Hydroxyadipyl-CoA (CHEBI:34002) is a acyl-CoA (CHEBI:17984)
(3S)-3-Hydroxyadipyl-CoA (CHEBI:34002) is conjugate acid of (3S)-hydroxyadipyl-CoA(5−) (CHEBI:132183)
Incoming Relation(s)
(3S)-hydroxyadipyl-CoA(5−) (CHEBI:132183) is conjugate base of (3S)-3-Hydroxyadipyl-CoA (CHEBI:34002)
Synonym  Source
(3S)-3-Hydroxyadipyl-CoAKEGG COMPOUND
Manual XrefsDatabases
C14145KEGG COMPOUND