CHEBI:15491 - 3-oxopalmitoyl-CoA

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ChEBI Name 3-oxopalmitoyl-CoA ChEBI ID CHEBI:15491 Definition The S-(3-oxopalmitoyl) derivative of coenzyme A. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1647, CHEBI:11875, CHEBI:20176 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 C37H64N7O18P3S Net Charge 0 Average Mass 1019.92772 Monoisotopic Mass 1019.32414 InChI InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t26-,30-,31-,32+,36-/m1/s1 InChIKey NQMPLXPCRJOSHL-BBECNAHFSA-N SMILES CCCCCCCCCCCCCC(=O)CC(=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 Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Escherichia coli (NCBI:txid562) 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): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 3-oxopalmitoyl-CoA (CHEBI:15491) has functional parent 3-oxopalmitic acid (CHEBI:37251) 3-oxopalmitoyl-CoA (CHEBI:15491) has functional parent palmitoyl-CoA (CHEBI:15525) 3-oxopalmitoyl-CoA (CHEBI:15491) has role Escherichia coli metabolite (CHEBI:76971) 3-oxopalmitoyl-CoA (CHEBI:15491) has role mouse metabolite (CHEBI:75771) 3-oxopalmitoyl-CoA (CHEBI:15491) is a long-chain 3-oxo-fatty acyl-CoA (CHEBI:137599) 3-oxopalmitoyl-CoA (CHEBI:15491) is conjugate acid of 3-oxopalmitoyl-CoA(4−) (CHEBI:57349) Incoming 3-oxopalmitoyl-CoA(4−) (CHEBI:57349) is conjugate base of 3-oxopalmitoyl-CoA (CHEBI:15491) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} Synonyms Sources 3-Ketopalmitoyl-CoA KEGG COMPOUND 3-Oxohexadecanoyl-CoA KEGG COMPOUND 3-Oxopalmitoyl-CoA KEGG COMPOUND Manual Xref Database C05259 KEGG COMPOUND View more database links Last Modified 04 July 2017