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CHEBI:234522 - (2E)-nonadecenoyl-CoA(4-)

ChEBI IDCHEBI:234522
ChEBI Name(2E)-nonadecenoyl-CoA(4-)
Stars
DefinitionA long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E)-nonadecenoic acid; major species at pH 7.3.
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC40H66N7O17P3S
Net Charge-4
Average Mass1041.989
Monoisotopic Mass1041.34707
SMILESCCCCCCCCCCCCCCCC/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/C40H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(49)68-24-23-42-30(48)21-22-43-38(52)35(51)40(2,3)26-61-67(58,59)64-66(56,57)60-25-29-34(63-65(53,54)55)33(50)39(62-29)47-28-46-32-36(41)44-27-45-37(32)47/h19-20,27-29,33-35,39,50-51H,4-18,21-26H2,1-3H3,(H,42,48)(H,43,52)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/b20-19+/t29-,33-,34-,35+,39-/m1/s1
InChIKeyMAXBSQRWQJPHLZ-PLAKUHNTSA-J
ChEBI Ontology
Outgoing Relation(s)
(2E)-nonadecenoyl-CoA(4-) (CHEBI:234522) has functional parent 2-nonadecenoic acid (CHEBI:196577)
(2E)-nonadecenoyl-CoA(4-) (CHEBI:234522) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)