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CHEBI:747797 - 12(S)-HETE-CoA(4−)

Default Structure
ChEBI IDCHEBI:747797
ChEBI Name12(S)-HETE-CoA(4−)
Stars
DefinitionAn oxidized eicosatetraenoyl-CoA(4−) having 12(S)-HETE as the acyl substituent; major species at pH 7.3.
Last Modified27 May 2026
Submitternhn
DownloadsMolfile
FormulaC41H62N7O18P3S
Net Charge-4
Average Mass1065.967
Monoisotopic Mass1065.31068
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=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/C41H66N7O18P3S/c1-4-5-6-7-12-15-18-29(49)19-16-13-10-8-9-11-14-17-20-32(51)70-24-23-43-31(50)21-22-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h9-13,15-16,19,27-30,34-36,40,49,52-53H,4-8,14,17-18,20-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b11-9-,13-10-,15-12-,19-16+/t29-,30+,34+,35+,36-,40+/m0/s1
InChIKeyYCBRDAYQJTVLNF-ZOEDJBGKSA-J
ChEBI Ontology
Outgoing Relation(s)
12(S)-HETE-CoA(4−) (CHEBI:747797) is a oxidized eicosatetraenoyl-CoA(4−) (CHEBI:176587)
UniProt Name  Source
(12S)-hydroxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl-CoAUniProt
Citations