CHEBI:34300 - 2-naphthoyl-CoA

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ChEBI Name 2-naphthoyl-CoA ChEBI ID CHEBI:34300 Definition An acyl-CoA thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-naphthoic acid.. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C32H42N7O17P3S Net Charge 0 Average Mass 921.69900 Monoisotopic Mass 921.15708 InChI InChI=1S/C32H42N7O17P3S/c1-32(2,26(42)29(43)35-10-9-22(40)34-11-12-60-31(44)20-8-7-18-5-3-4-6-19(18)13-20)15-53-59(50,51)56-58(48,49)52-14-21-25(55-57(45,46)47)24(41)30(54-21)39-17-38-23-27(33)36-16-37-28(23)39/h3-8,13,16-17,21,24-26,30,41-42H,9-12,14-15H2,1-2H3,(H,34,40)(H,35,43)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,24-,25-,26+,30-/m1/s1 InChIKey DPWZDDZXXDPFNM-YGFBVEKBSA-N SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc2ccccc2c1 Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 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): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 2-naphthoyl-CoA (CHEBI:34300) has functional parent 2-naphthoic acid (CHEBI:36106) 2-naphthoyl-CoA (CHEBI:34300) has role mouse metabolite (CHEBI:75771) 2-naphthoyl-CoA (CHEBI:34300) is a acyl-CoA (CHEBI:17984) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(naphthalen-2-ylcarbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 2-Naphthoyl-CoA KEGG COMPOUND 2-naphthoyl-coenzyme A ChEBI Manual Xref Database C14120 KEGG COMPOUND View more database links Citations Types Sources 19854898 PubMed citation Europe PMC 21124915 PubMed citation Europe PMC Last Modified 27 January 2016