CHEBI:71412 - trans-2-octadecenoyl-CoA(4−)

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ChEBI Name trans-2-octadecenoyl-CoA(4−) ChEBI ID CHEBI:71412 ChEBI ASCII Name trans-2-octadecenoyl-CoA(4-) Definition A 2,3-trans-enoyl CoA(4−) arising from deprotonation of the phosphate and diphosphate groups of trans-2-octadecenoyl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Eugeni Belda 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 C39H64N7O17P3S Net Charge -4 Average Mass 1027.94800 Monoisotopic Mass 1027.33142 InChI InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h18-19,26-28,32-34,38,49-50H,4-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b19-18+/t28-,32-,33-,34+,38-/m1/s1 InChIKey NBCCUIHOHUKBMK-ZDDAFBBHSA-J SMILES CCCCCCCCCCCCCCC\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-octadecenoyl-CoA(4−) (CHEBI:71412) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856) trans-2-octadecenoyl-CoA(4−) (CHEBI:71412) is a octadecenoyl-CoA(4−) (CHEBI:139567) trans-2-octadecenoyl-CoA(4−) (CHEBI:71412) is conjugate base of trans-2-octadecenoyl-CoA (CHEBI:50570) Incoming trans-2-octadecenoyl-CoA (CHEBI:50570) is conjugate acid of trans-2-octadecenoyl-CoA(4−) (CHEBI:71412) IUPAC Name 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-octadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate} Synonyms Sources (2E)-octadec-2-enoyl-CoA(4−) ChEBI (2E)-octadec-2-enoyl-coenzyme A(4−) ChEBI (2E)-octadecenoyl-CoA UniProt (2E)-octadecenoyl-CoA(4−) SUBMITTER trans-2-octadecenoyl-coenzyme A(4−) ChEBI Manual Xref Database CPD-10262 MetaCyc View more database links Citation Type Source 30485 PubMed citation Europe PMC Last Modified 01 February 2018