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CHEBI:78684 - (9Z,12Z)-pentadecadienoyl-CoA(4−)

ChEBI IDCHEBI:78684
ChEBI Name(9Z,12Z)-pentadecadienoyl-CoA(4−)
Stars
ASCII Name(9Z,12Z)-pentadecadienoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (9Z,12Z)-pentadecadienoyl; major species at pH 7.3.
Last Modified28 July 2021
Submitternhn
DownloadsMolfile
FormulaC36H56N7O17P3S
Net Charge-4
Average Mass983.865
Monoisotopic Mass983.26882
SMILESCC/C=C\C/C=C\CCCCCCCC(=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/C36H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h5-6,8-9,23-25,29-31,35,46-47H,4,7,10-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/b6-5-,9-8-/t25-,29-,30-,31+,35-/m1/s1
InChIKeyVMSIJBGASRPFNJ-RIVUYYTISA-J
ChEBI Ontology
Outgoing Relation(s)
(9Z,12Z)-pentadecadienoyl-CoA(4−) (CHEBI:78684) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(9Z,12Z)-pentadecadienoyl-CoA(4−) (CHEBI:78684) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(9Z,12Z)-pentadecadienoyl-CoA(4−) (CHEBI:78684) is conjugate base of (9Z,12Z)-pentadecadienoyl-CoA (CHEBI:82746)
Incoming Relation(s)
(9Z,12Z)-pentadecadienoyl-CoA (CHEBI:82746) is conjugate acid of (9Z,12Z)-pentadecadienoyl-CoA(4−) (CHEBI:78684)
Synonym  Source
(9Z,12Z)-pentadecadienoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(9Z,12Z)-pentadecadienoyl-CoAUniProt
Citations