CHEBI:144830 - (5S)-5-hydroxycyclohex-1-ene-1-carbonyl-CoA(4−)

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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 (5S)-5-hydroxycyclohex-1-ene-1-carbonyl-CoA(4−)
ChEBI ID CHEBI:144830
ChEBI ASCII Name (5S)-5-hydroxycyclohex-1-ene-1-carbonyl-CoA(4-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C28H40N7O18P3S
Net Charge -4
Average Mass 887.640
Monoisotopic Mass 887.13853
InChI InChI=1S/C28H44N7O18P3S/c1-28(2,22(39)25(40)31-7-6-18(37)30-8-9-57-27(41)15-4-3-5-16(36)10-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h4,13-14,16-17,20-22,26,36,38-39H,3,5-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t16-,17+,20+,21+,22-,26+/m0/s1
InChIKey KKBUHPBECHCCGG-IPWBBTITSA-J
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)C4=CCC[C@@H](C4)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing (5S)-5-hydroxycyclohex-1-ene-1-carbonyl-CoA(4−) (CHEBI:144830) is a acyl-CoA(4−) (CHEBI:58342)
Synonym Source
(5S)-5-hydroxycyclohex-1-ene-1-carbonyl-CoA UniProt
Manual Xref Database
CPD-22107 MetaCyc accession
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Citation Waiting for Citations Type Source
8955309 PubMed citation SUBMITTER