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CHEBI:78690 - (9Z,12Z)-heptadecadienoyl-CoA(4−)

ChEBI IDCHEBI:78690
ChEBI Name(9Z,12Z)-heptadecadienoyl-CoA(4−)
Stars
ASCII Name(9Z,12Z)-heptadecadienoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (9Z,12Z)-heptadecadienoyl-CoA; major species at pH 7.3.
Last Modified28 July 2021
Submitternhn
DownloadsMolfile
FormulaC38H60N7O17P3S
Net Charge-4
Average Mass1011.919
Monoisotopic Mass1011.30012
SMILESCCCC/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/C38H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h7-8,10-11,25-27,31-33,37,48-49H,4-6,9,12-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/b8-7-,11-10-/t27-,31-,32-,33+,37-/m1/s1
InChIKeyZCWCVEASRCTNOG-USRQLYQFSA-J
ChEBI Ontology
Outgoing Relation(s)
(9Z,12Z)-heptadecadienoyl-CoA(4−) (CHEBI:78690) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(9Z,12Z)-heptadecadienoyl-CoA(4−) (CHEBI:78690) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(9Z,12Z)-heptadecadienoyl-CoA(4−) (CHEBI:78690) is conjugate base of (9Z,12Z)-heptadecadienoyl-CoA (CHEBI:82747)
Incoming Relation(s)
(9Z,12Z)-heptadecadienoyl-CoA (CHEBI:82747) is conjugate acid of (9Z,12Z)-heptadecadienoyl-CoA(4−) (CHEBI:78690)
Synonym  Source
(9Z,12Z)-heptadecadienoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(9Z,12Z)-heptadecadienoyl-CoAUniProt
Citations