CHEBI:136115 - 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA(4−)

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ChEBI Name 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA(4−)
ChEBI ID CHEBI:136115
ChEBI ASCII Name 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA(4-)
Definition A polyunsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
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Formula C41H62N7O18P3S
Net Charge -4
Average Mass 1065.956
Monoisotopic Mass 1065.31068
InChI InChI=1S/C41H66N7O18P3S/c1-4-5-6-7-11-14-17-28-29(63-28)18-15-12-9-8-10-13-16-19-32(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/h8,10-12,14-15,26-30,34-36,40,51-52H,4-7,9,13,16-25H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b10-8-,14-11-,15-12-/t28?,29?,30-,34-,35-,36+,40-/m1/s1
InChIKey RYFQYGWUOLMBGD-ZJAXWMFPSA-J
SMILES C(CCC)C/C=C\CC1C(C/C=C\C/C=C\CCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)O1
ChEBI Ontology
Outgoing 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA(4−) (CHEBI:136115) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA(4−) (CHEBI:136115) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA(4−) (CHEBI:136115) is conjugate base of 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA (CHEBI:137047)
Incoming 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA (CHEBI:137047) is conjugate acid of 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA(4−) (CHEBI:136115)
Synonyms Sources
11,12-EET-CoA(4−) ChEBI
11,12-epoxy-(5Z,8Z,14Z)-eicosatrienoyl-CoA UniProt
Citation Waiting for Citations Type Source
28209804 PubMed citation SUBMITTER
Last Modified
15 May 2017