CHEBI:137445 - 11-oxo-ETE-CoA

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ChEBI Name 11-oxo-ETE-CoA ChEBI ID CHEBI:137445 Definition A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 11-oxo-ETE. Stars This entity has been manually annotated by the ChEBI Team. 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 C41H64N7O18P3S Net Charge 0 Average Mass 1067.972 Monoisotopic Mass 1067.32414 InChI InChI=1S/C41H64N7O18P3S/c1-4-5-6-7-9-12-15-18-29(49)19-16-13-10-8-11-14-17-20-32(51)70-24-23-43-31(50)21-22-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h8-9,11-13,15-16,18,27-28,30,34-36,40,52-53H,4-7,10,14,17,19-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b11-8-,12-9-,16-13-,18-15+/t30-,34-,35-,36+,40-/m1/s1 InChIKey APIODADESVKQOL-UHFFRIHTSA-N SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCC/C=C\C/C=C\CC(/C=C/C=C\CCCCC)=O)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O Metabolite of Species Details Homo Sapiens (NCBI:txid9606) See: PubMed Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing 11-oxo-ETE-CoA (CHEBI:137445) has functional parent 11-oxo-ETE (CHEBI:90776) 11-oxo-ETE-CoA (CHEBI:137445) has role human xenobiotic metabolite (CHEBI:76967) 11-oxo-ETE-CoA (CHEBI:137445) is a enone (CHEBI:51689) 11-oxo-ETE-CoA (CHEBI:137445) is a long-chain fatty acyl-CoA (CHEBI:33184) 11-oxo-ETE-CoA (CHEBI:137445) is a oxo-fatty acyl-CoA (CHEBI:61903) 11-oxo-ETE-CoA (CHEBI:137445) is a unsaturated fatty acyl-CoA (CHEBI:51006) 11-oxo-ETE-CoA (CHEBI:137445) is conjugate acid of 11-oxo-ETE-CoA(4−) (CHEBI:136577) Incoming 11-oxo-ETE-CoA(4−) (CHEBI:136577) is conjugate base of 11-oxo-ETE-CoA (CHEBI:137445) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(5Z,8Z,12E,14Z)-11-oxoicosa-5,8,12,14-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (5Z,8Z,12E,14Z)-11-oxoicosatetraenoyl-CoA ChEBI 11-keto-ETE-CoA ChEBI Citation Type Source 28238887 PubMed citation Europe PMC Last Modified 16 June 2017