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CHEBI:747801 - 15(S)-HPETE-CoA(4−)

Default Structure
ChEBI IDCHEBI:747801
ChEBI Name15(S)-HPETE-CoA(4−)
Stars
DefinitionAn oxidized eicosatetraenoyl-CoA(4−) having 15(S)-HETE as the acyl substituent; major species at pH 7.3.
Last Modified27 May 2026
Submitternhn
DownloadsMolfile
FormulaC41H62N7O19P3S
Net Charge-4
Average Mass1081.966
Monoisotopic Mass1081.30560
SMILESCCCCC[C@@H](/C=C/C=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-])OO
InChIInChI=1S/C41H66N7O19P3S/c1-4-5-15-18-29(65-54)19-16-13-11-9-7-6-8-10-12-14-17-20-32(50)71-24-23-43-31(49)21-22-44-39(53)36(52)41(2,3)26-63-70(60,61)67-69(58,59)62-25-30-35(66-68(55,56)57)34(51)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h6-7,10-13,16,19,27-30,34-36,40,51-52,54H,4-5,8-9,14-15,17-18,20-26H2,1-3H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b7-6-,12-10-,13-11-,19-16+/t29-,30+,34+,35+,36-,40+/m0/s1
InChIKeyLTXYCRQJHXOOBR-FJTKSVPZSA-J
ChEBI Ontology
Outgoing Relation(s)
15(S)-HPETE-CoA(4−) (CHEBI:747801) is a oxidized eicosatetraenoyl-CoA(4−) (CHEBI:176587)
Synonym  Source
15(S)-H(p)ETE-CoA(4−)SUBMITTER
UniProt Name  Source
(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl-CoAUniProt
Citations