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CHEBI:85091 - (2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA(4−)

ChEBI IDCHEBI:85091
ChEBI Name(2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA(4−)
Stars
ASCII Name(2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA; major species at pH 7.3.
Last Modified3 December 2016
Submitterlaimo
DownloadsMolfile
FormulaC41H60N7O17P3S
Net Charge-4
Average Mass1047.952
Monoisotopic Mass1047.30012
SMILESCCCCC/C=C\C/C=C\C/C=C\CC/C=C/C=C/C(=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/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,18-21,28-30,34-36,40,51-52H,4-7,10,13,16-17,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11-,15-14-,19-18+,21-20+/t30-,34-,35-,36+,40-/m1/s1
InChIKeyVEOYVBZJFWTPAJ-AKGIYQAYSA-J
ChEBI Ontology
Outgoing Relation(s)
(2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA(4−) (CHEBI:85091) is a 6-saturated-trans,trans-2,4-dienoyl-CoA(4−) (CHEBI:85111)
(2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA(4−) (CHEBI:85091) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA(4−) (CHEBI:85091) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA(4−) (CHEBI:85091) is conjugate base of (2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA (CHEBI:85554)
Incoming Relation(s)
(2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA (CHEBI:85554) is conjugate acid of (2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA(4−) (CHEBI:85091)
Synonym  Source
(2,4trans,8,11,14cis)-eicosapentaenoyl-CoA(4−)SUBMITTER
UniProt Name  Source
(2E,4E,8Z,11Z,14Z)-eicosapentaenoyl-CoAUniProt