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CHEBI:136117 - 14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA(4−)

ChEBI IDCHEBI:136117
ChEBI Name14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA(4−)
Stars
ASCII Name14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA; major species at pH 7.3.
Last Modified15 May 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC41H62N7O18P3S
Net Charge-4
Average Mass1065.967
Monoisotopic Mass1065.31068
SMILESCCCCCC1OC1C/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-]
InChIInChI=1S/C41H66N7O18P3S/c1-4-5-14-17-28-29(63-28)18-15-12-10-8-6-7-9-11-13-16-19-32(50)70-23-22-43-31(49)20-21-44-39(53)36(52)41(2,3)25-62-69(59,60)66-68(57,58)61-24-30-35(65-67(54,55)56)34(51)40(64-30)48-27-47-33-37(42)45-26-46-38(33)48/h6,8-9,11-12,15,26-30,34-36,40,51-52H,4-5,7,10,13-14,16-25H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b8-6-,11-9-,15-12-/t28?,29?,30-,34-,35-,36+,40-/m1/s1
InChIKeyCLMDPNDRJQGMHA-CFXBMLJWSA-J
ChEBI Ontology
Outgoing Relation(s)
14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA(4−) (CHEBI:136117) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA(4−) (CHEBI:136117) is a oxidized icosatrienoyl-CoA(4−) (CHEBI:176588)
14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA(4−) (CHEBI:136117) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA(4−) (CHEBI:136117) is conjugate base of 14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA (CHEBI:137050)
Incoming Relation(s)
14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA (CHEBI:137050) is conjugate acid of 14,15-epoxy-(5Z,8Z,11Z)-icosatrienoyl-CoA(4−) (CHEBI:136117)
Synonym  Source
14,15-EET-CoA(4−)ChEBI
UniProt Name  Source
14,15-epoxy-(5Z,8Z,11Z)-eicosatrienoyl-CoAUniProt
Citations