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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3S)-3-Hydroxyadipyl-CoA
ChEBI ID CHEBI:34002
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H44N7O20P3S
Net Charge 0
Average Mass 911.662
Monoisotopic Mass 911.157
InChI InChI=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
InChIKey OTEACGAEDCIMBS-PXUUTJOASA-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(O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)CCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:562) See: PubMed
ChEBI Ontology
Outgoing (3S)-3-Hydroxyadipyl-CoA (CHEBI:34002) is a polyol (CHEBI:26191)
(3S)-3-Hydroxyadipyl-CoA (CHEBI:34002) is conjugate acid of (3S)-hydroxyadipyl-CoA(5−) (CHEBI:132183)
Incoming (3S)-hydroxyadipyl-CoA(5−) (CHEBI:132183) is conjugate base of (3S)-3-Hydroxyadipyl-CoA (CHEBI:34002)
Synonym Source
(3S)-3-Hydroxyadipyl-CoA KEGG COMPOUND
Database Link Database
C14145 KEGG COMPOUND
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Last Modified
27 January 2016