CHEBI:27540 - hexanoyl-CoA

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ChEBI Name hexanoyl-CoA ChEBI ID CHEBI:27540 Definition A medium-chain fatty acyl-CoA having hexanoyl as the S-acyl group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:43306, CHEBI:24575, CHEBI:5703 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 C27H46N7O17P3S Net Charge 0 Average Mass 865.67840 Monoisotopic Mass 865.18838 InChI InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1 InChIKey OEXFMSFODMQEPE-HDRQGHTBSA-N SMILES CCCCCC(=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 Homo sapiens (NCBI:txid9606) See: DOI 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. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing hexanoyl-CoA (CHEBI:27540) has functional parent coenzyme A (CHEBI:15346) hexanoyl-CoA (CHEBI:27540) has functional parent hexanoic acid (CHEBI:30776) hexanoyl-CoA (CHEBI:27540) has role Escherichia coli metabolite (CHEBI:76971) hexanoyl-CoA (CHEBI:27540) has role human metabolite (CHEBI:77746) hexanoyl-CoA (CHEBI:27540) has role mouse metabolite (CHEBI:75771) hexanoyl-CoA (CHEBI:27540) is a medium-chain fatty acyl-CoA (CHEBI:61907) hexanoyl-CoA (CHEBI:27540) is conjugate acid of hexanoyl-CoA(4−) (CHEBI:62620) Incoming 3-hydroxy-5-oxohexanoyl-CoA (CHEBI:20052) has functional parent hexanoyl-CoA (CHEBI:27540) 3-oxohexanoyl-CoA (CHEBI:27648) has functional parent hexanoyl-CoA (CHEBI:27540) adipoyl-CoA (CHEBI:34528) has functional parent hexanoyl-CoA (CHEBI:27540) hexanoyl-CoA(4−) (CHEBI:62620) is conjugate base of hexanoyl-CoA (CHEBI:27540) IUPAC Name 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(hexanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) Synonyms Sources caproyl-CoA ChEBI caproyl-coenzyme A ChEBI Coenzyme A, S-hexanoate ChemIDplus Hexanoyl-CoA KEGG COMPOUND hexanoyl-CoA ChEBI Hexanoyl-coenzyme A ChemIDplus n-hexanoyl-CoA ChEBI n-hexanoyl-coenzyme A ChEBI S-hexanoyl-CoA ChEBI S-Hexanoyl-coenzym-A ChEBI S-hexanoyl-coenzyme-A ChEBI Manual Xrefs Databases C05270 KEGG COMPOUND DB02563 DrugBank HMDB0002845 HMDB HXC PDBeChem View more database links Registry Numbers Types Sources 5060-32-2 CAS Registry Number ChemIDplus 78347 Reaxys Registry Number Reaxys 78347 Beilstein Registry Number Beilstein Citations Types Sources 18215412 PubMed citation Europe PMC 19391105 PubMed citation Europe PMC 19501572 PubMed citation Europe PMC 19581347 PubMed citation Europe PMC 7370014 PubMed citation Europe PMC 7988059 PubMed citation Europe PMC Last Modified 27 January 2016