CHEBI:15517 - butyryl-CoA

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ChEBI Name butyryl-CoA ChEBI ID CHEBI:15517 Definition A short-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of butyric acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:3235, CHEBI:13926, CHEBI:22953, CHEBI:22973 Supplier Information ZINC000008551126 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H42N7O17P3S Net Charge 0 Average Mass 837.62524 Monoisotopic Mass 837.15708 InChI InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1 InChIKey CRFNGMNYKDXRTN-CITAKDKDSA-N SMILES CCCC(=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 butyryl-CoA (CHEBI:15517) has functional parent butyric acid (CHEBI:30772) butyryl-CoA (CHEBI:15517) has functional parent coenzyme A (CHEBI:15346) butyryl-CoA (CHEBI:15517) has role Escherichia coli metabolite (CHEBI:76971) butyryl-CoA (CHEBI:15517) has role mouse metabolite (CHEBI:75771) butyryl-CoA (CHEBI:15517) is a butanoyl-CoAs (CHEBI:22954) butyryl-CoA (CHEBI:15517) is conjugate acid of butyryl-CoA(4−) (CHEBI:57371) Incoming (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA (CHEBI:15449) has functional parent butyryl-CoA (CHEBI:15517) (3S)-3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:15454) has functional parent butyryl-CoA (CHEBI:15517) 2-methylacetoacetyl-CoA (CHEBI:15476) has functional parent butyryl-CoA (CHEBI:15517) 3-aminobutyryl-CoA (CHEBI:28317) has functional parent butyryl-CoA (CHEBI:15517) 3-hydroxybutanoyl-CoA (CHEBI:37050) has functional parent butyryl-CoA (CHEBI:15517) 3-hydroxyisovaleryl-CoA (CHEBI:28291) has functional parent butyryl-CoA (CHEBI:15517) 4-acetamidobutanoyl-CoA (CHEBI:28684) has functional parent butyryl-CoA (CHEBI:15517) 4-aminobutanoyl-CoA (CHEBI:15496) has functional parent butyryl-CoA (CHEBI:15517) acetoacetyl-CoA (CHEBI:15345) has functional parent butyryl-CoA (CHEBI:15517) isovaleryl-CoA (CHEBI:15487) has functional parent butyryl-CoA (CHEBI:15517) butyryl-CoA(4−) (CHEBI:57371) is conjugate base of butyryl-CoA (CHEBI:15517) IUPAC Name 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(butanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) Synonyms Sources 4:0-CoA ChEBI Butanoyl-CoA KEGG COMPOUND butanoyl-CoA ChEBI butanoyl-coenzyme A ChEBI Butyryl-CoA KEGG COMPOUND Butyryl-CoA UM-BBD Butyryl-coa ChemIDplus Butyryl-coenzyme A ChemIDplus C4:0-CoA ChEBI Coenzyme A, S-butanoate ChemIDplus S-butanoyl-CoA ChEBI S-butanoyl-coenzyme A ChEBI S-butyryl-CoA ChEBI S-Butyryl-coenzym-A ChEBI S-butyryl-coenzyme A ChEBI Manual Xrefs Databases BCO PDBeChem C00136 KEGG COMPOUND c0023 UM-BBD HMDB0001088 HMDB View more database links Registry Numbers Types Sources 2140-48-9 CAS Registry Number ChemIDplus 78263 Reaxys Registry Number Reaxys Citations Last Modified 27 January 2016