CHEBI:138398 - (15Z)-12-oxophyto-10,15-dienoyl-CoA(4−)

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ChEBI Name (15Z)-12-oxophyto-10,15-dienoyl-CoA(4−) ChEBI ID CHEBI:138398 ChEBI ASCII Name (15Z)-12-oxophyto-10,15-dienoyl-CoA(4-) Definition A fatty acyl-CoA(4-) that is the tetraanion of (15Z)-12-oxophyto-10,15-dienoyl-CoA, arising from deprotonation of phosphate and diphosphate functions; 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 C39H58N7O18P3S Net Charge -4 Average Mass 1037.903 Monoisotopic Mass 1037.27938 InChI InChI=1S/C39H62N7O18P3S/c1-4-5-9-13-26-25(15-16-27(26)47)12-10-7-6-8-11-14-30(49)68-20-19-41-29(48)17-18-42-37(52)34(51)39(2,3)22-61-67(58,59)64-66(56,57)60-21-28-33(63-65(53,54)55)32(50)38(62-28)46-24-45-31-35(40)43-23-44-36(31)46/h5,9,15-16,23-26,28,32-34,38,50-51H,4,6-8,10-14,17-22H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b9-5-/t25-,26-,28+,32+,33+,34-,38+/m0/s1 InChIKey XQXACJRPGQOJGP-LLHOYASASA-J SMILES S(C(CCCCCCC[C@@H]1[C@@H](C(C=C1)=O)C/C=C\CC)=O)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing (15Z)-12-oxophyto-10,15-dienoyl-CoA(4−) (CHEBI:138398) is a fatty acyl-CoA(4−) (CHEBI:77636) (15Z)-12-oxophyto-10,15-dienoyl-CoA(4−) (CHEBI:138398) is a Jasmonate derivatives (CHEBI:167055) (15Z)-12-oxophyto-10,15-dienoyl-CoA(4−) (CHEBI:138398) is conjugate base of (15Z)-12-oxophyto-10,15-dienoyl-CoA (CHEBI:139064) Incoming (15Z)-12-oxophyto-10,15-dienoyl-CoA (CHEBI:139064) is conjugate acid of (15Z)-12-oxophyto-10,15-dienoyl-CoA(4−) (CHEBI:138398) Synonyms Sources (10Z,15Z)-12-oxophytodienoyl-CoA UniProt OPDA-CoA(4−) ChEBI Citation Type Source 16963437 PubMed citation SUBMITTER Last Modified 15 November 2017