EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232532 - (3S,11Z)-3-hydroxyoctadecenoyl-CoA(4−)

ChEBI IDCHEBI:232532
ChEBI Name(3S,11Z)-3-hydroxyoctadecenoyl-CoA(4−)
Stars
ASCII Name(3S,11Z)-3-hydroxyoctadecenoyl-CoA(4-)
DefinitionAn (S)-3-hydroxyacyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (3S,11Z)-3-hydroxyoctadecenoyl-CoA; major species at pH 7.3.
Last Modified20 May 2025
Submitterlaimo
DownloadsMolfile
FormulaC39H64N7O18P3S
Net Charge-4
Average Mass1043.961
Monoisotopic Mass1043.32633
SMILESCCCCCC/C=C\CCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]
InChIInChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h9-10,25-28,32-34,38,47,50-51H,4-8,11-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b10-9-/t27-,28+,32+,33+,34-,38+/m0/s1
InChIKeySCDXBWNPJAGEEK-KBOAXVDLSA-J
ChEBI Ontology
Outgoing Relation(s)
(3S,11Z)-3-hydroxyoctadecenoyl-CoA(4−) (CHEBI:232532) is a (S)-3-hydroxyacyl-CoA(4−) (CHEBI:57318)
Synonyms  Source
L-3-hydroxy-(11Z)-octadecenoyl-CoA(4−)SUBMITTER
(S)-3-OH-C18:1-(ω-7)-CoA(4−)SUBMITTER
UniProt Name  Source
(3S)-hydroxy-(11Z)-octadecenoyl-CoAUniProt