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 ZINC000096014554 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 a saturated fatty acyl-CoA (CHEBI:231546) 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 Last Modified 07 June 2024