CHEBI:132183 - (3S)-hydroxyadipyl-CoA(5−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (3S)-hydroxyadipyl-CoA(5−)
ChEBI ID CHEBI:132183
ChEBI ASCII Name (3S)-hydroxyadipyl-CoA(5-)
Definition An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions of (3S)-hydroxyadipyl-CoA.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information ZINC000005131976
Download Molfile XML SDF
Formula C27H39N7O20P3S
Net Charge -5
Average Mass 906.622
Monoisotopic Mass 906.12109
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)/p-5/t14-,15+,20+,21+,22-,26+/m0/s1
InChIKey OTEACGAEDCIMBS-NOTSHUFBSA-I
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C[C@@H](O)CCC([O-])=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing (3S)-hydroxyadipyl-CoA(5−) (CHEBI:132183) has functional parent oxoacid (CHEBI:24833)
(3S)-hydroxyadipyl-CoA(5−) (CHEBI:132183) is a acyl-CoA oxoanion (CHEBI:58946)
(3S)-hydroxyadipyl-CoA(5−) (CHEBI:132183) is conjugate base of (3S)-3-Hydroxyadipyl-CoA (CHEBI:34002)
Incoming (3S)-3-Hydroxyadipyl-CoA (CHEBI:34002) is conjugate acid of (3S)-hydroxyadipyl-CoA(5−) (CHEBI:132183)
Synonym Source
(3S)-3-hydroxyadipyl-CoA UniProt
Manual Xref Database
3-HYDROXYADIPYL-COA MetaCyc accession
View more database links
Last Modified
09 October 2017