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CHEBI:137107 - 5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA

ChEBI IDCHEBI:137107
ChEBI Name5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA
Stars
ASCII Name5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 5,6-epoxy-(8Z,11Z,14Z)-icosatrienoic acid.
Last Modified22 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC41H66N7O18P3S
Net Charge0
Average Mass1069.999
Monoisotopic Mass1069.33979
SMILESCCCCC/C=C\C/C=C\C/C=C\CC1OC1CCCC(=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/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-28-29(63-28)18-16-19-32(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/h8-9,11-12,14-15,26-30,34-36,40,51-52H,4-7,10,13,16-25H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-/t28?,29?,30-,34-,35-,36+,40-/m1/s1
InChIKeyFDUSGMKUHAQABN-SDASWALNSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA (CHEBI:137107) has functional parent 5,6-EET (CHEBI:34450)
5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA (CHEBI:137107) is a long-chain fatty acyl-CoA (CHEBI:33184)
5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA (CHEBI:137107) is a unsaturated fatty acyl-CoA (CHEBI:51006)
5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA (CHEBI:137107) is conjugate acid of 5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA(4−) (CHEBI:136351)
Incoming Relation(s)
5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA(4−) (CHEBI:136351) is conjugate base of 5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA (CHEBI:137107)
Synonyms  Source
5,6-EET-CoAChEBI
(8Z,11Z,14Z)-5,6-epoxyicosatrienoyl-CoAChEBI
5,6-epoxy-(8Z,11Z,14Z)-eicosatrienoyl-CoAChEBI