CHEBI:77551 - trans-2-heptadecenoyl-CoA(4−)

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ChEBI Name trans-2-heptadecenoyl-CoA(4−) ChEBI ID CHEBI:77551 ChEBI ASCII Name trans-2-heptadecenoyl-CoA(4-) Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of trans-2-heptadecenoyl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter AnneNiknejad Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C38H62N7O17P3S Net Charge -4 Average Mass 1013.92400 Monoisotopic Mass 1013.31577 InChI InChI=1S/C38H66N7O17P3S/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/h17-18,25-27,31-33,37,48-49H,4-16,19-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/b18-17+/t27-,31-,32-,33+,37-/m1/s1 InChIKey YDHQUKOTPYJJSE-WSFAOELFSA-J SMILES CCCCCCCCCCCCCC\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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 ChEBI Ontology Outgoing trans-2-heptadecenoyl-CoA(4−) (CHEBI:77551) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856) trans-2-heptadecenoyl-CoA(4−) (CHEBI:77551) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139) trans-2-heptadecenoyl-CoA(4−) (CHEBI:77551) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331) trans-2-heptadecenoyl-CoA(4−) (CHEBI:77551) is conjugate base of trans-2-heptadecenoyl-CoA (CHEBI:78179) Incoming trans-2-heptadecenoyl-CoA (CHEBI:78179) is conjugate acid of trans-2-heptadecenoyl-CoA(4−) (CHEBI:77551) IUPAC Name 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-heptadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} Synonyms Sources (E)-2-heptadecenoyl-CoA(4−) ChEBI (E)-2-heptadecenoyl-coenzyme A(4−) ChEBI trans-2-heptadecenoyl-CoA UniProt trans-2-heptadecenoyl-coenzyme A(4−) ChEBI Citation Type Source 16020546 PubMed citation SUBMITTER Last Modified 28 July 2021