CHEBI:137446 - 15-oxo-ETE-CoA

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ChEBI Name 15-oxo-ETE-CoA ChEBI ID CHEBI:137446 Definition An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 15-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/c1-4-5-15-18-29(49)19-16-13-11-9-7-6-8-10-12-14-17-20-32(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/h6-7,10-13,16,19,27-28,30,34-36,40,52-53H,4-5,8-9,14-15,17-18,20-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b7-6-,12-10-,13-11-,19-16+/t30-,34-,35-,36+,40-/m1/s1 InChIKey FMJJHBYFPWVAAF-WUNWMFABSA-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\C\C=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 15-oxo-ETE-CoA (CHEBI:137446) has functional parent 15-oxo-ETE (CHEBI:15559) 15-oxo-ETE-CoA (CHEBI:137446) has role human xenobiotic metabolite (CHEBI:76967) 15-oxo-ETE-CoA (CHEBI:137446) is a enone (CHEBI:51689) 15-oxo-ETE-CoA (CHEBI:137446) is a long-chain fatty acyl-CoA (CHEBI:33184) 15-oxo-ETE-CoA (CHEBI:137446) is a oxo-fatty acyl-CoA (CHEBI:61903) 15-oxo-ETE-CoA (CHEBI:137446) is a unsaturated fatty acyl-CoA (CHEBI:51006) 15-oxo-ETE-CoA (CHEBI:137446) is conjugate acid of 15-oxo-ETE-CoA(4−) (CHEBI:136578) Incoming 15-oxo-ETE-CoA(4−) (CHEBI:136578) is conjugate base of 15-oxo-ETE-CoA (CHEBI:137446) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (5Z,8Z,11Z,13E)-15-oxoicosatetraenoyl-CoA ChEBI 15-keto-ETE-CoA ChEBI Citation Type Source 28238887 PubMed citation Europe PMC Last Modified 16 June 2017