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CHEBI:747802 - 12(S)-HPETE-CoA(4−)

Default Structure
ChEBI IDCHEBI:747802
ChEBI Name12(S)-HPETE-CoA(4−)
Stars
DefinitionAn oxidized eicosatetraenoyl-CoA(4−) having 12(S)-HPETE 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=C\C[C@@H](/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/c1-4-5-6-7-12-15-18-29(65-54)19-16-13-10-8-9-11-14-17-20-32(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/h9-13,15-16,19,27-30,34-36,40,51-52,54H,4-8,14,17-18,20-26H2,1-3H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b11-9-,13-10-,15-12-,19-16+/t29-,30+,34+,35+,36-,40+/m0/s1
InChIKeyMBTIPTHSFUXBJA-ZOEDJBGKSA-J
ChEBI Ontology
Outgoing Relation(s)
12(S)-HPETE-CoA(4−) (CHEBI:747802) is a oxidized eicosatetraenoyl-CoA(4−) (CHEBI:176587)
Synonym  Source
12(S)-H(p)ETE-CoA(4−)SUBMITTER
UniProt Name  Source
(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl-CoAUniProt
Citations