CHEBI:28493 - decanoyl-CoA

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ChEBI Name decanoyl-CoA ChEBI ID CHEBI:28493 Definition A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of decanoic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:4348, CHEBI:23575 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 C31H54N7O17P3S Net Charge 0 Average Mass 921.78472 Monoisotopic Mass 921.25098 InChI InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26+,30-/m1/s1 InChIKey CNKJPHSEFDPYDB-HSJNEKGZSA-N SMILES CCCCCCCCCC(=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 decanoyl-CoA (CHEBI:28493) has functional parent coenzyme A (CHEBI:15346) decanoyl-CoA (CHEBI:28493) has functional parent decanoic acid (CHEBI:30813) decanoyl-CoA (CHEBI:28493) has role Escherichia coli metabolite (CHEBI:76971) decanoyl-CoA (CHEBI:28493) has role mouse metabolite (CHEBI:75771) decanoyl-CoA (CHEBI:28493) is a medium-chain fatty acyl-CoA (CHEBI:61907) decanoyl-CoA (CHEBI:28493) is conjugate acid of decanoyl-CoA(4−) (CHEBI:61430) Incoming 3-oxodecanoyl-CoA (CHEBI:28528) has functional parent decanoyl-CoA (CHEBI:28493) decanoyl-CoA(4−) (CHEBI:61430) is conjugate base of decanoyl-CoA (CHEBI:28493) IUPAC Name 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(decanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) Synonyms Sources 10:0-CoA ChEBI C10:0-CoA ChEBI capryl-CoA ChEBI capryl-coenzyme A ChEBI Coenzyme A, S-decanoate ChemIDplus Decanoyl-CoA KEGG COMPOUND Decanoyl-coenzyme A ChemIDplus Manual Xrefs Databases C05274 KEGG COMPOUND HMDB0006404 HMDB LMFA07050022 LIPID MAPS View more database links Registry Numbers Types Sources 1264-57-9 CAS Registry Number ChemIDplus 8033370 Reaxys Registry Number Reaxys Citations Types Sources 1422210 PubMed citation Europe PMC 21175 PubMed citation Europe PMC 2178686 PubMed citation Europe PMC 3729425 PubMed citation Europe PMC 4147365 PubMed citation Europe PMC Last Modified 27 January 2016