CHEBI:15479 - isobutyryl-CoA

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ChEBI Name isobutyryl-CoA ChEBI ID CHEBI:15479 Definition A short-chain, methyl-branched fatty acyl-CoA that is the S-isobutyryl derivative of coenzyme A. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:19712, CHEBI:41634, CHEBI:12754, CHEBI:11629, CHEBI:1214 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 Wikipedia License Isobutyryl-coenzyme A is a starting material for many natural products derived from Poly-Ketide Synthase (PKS) assembly lines, as well as PKS-NRPS hybrid assembly lines. These products can often be used as antibiotics. Notably, it is also an intermediate in the metabolism of the amino acid Valine, and structurally similar to intermediates in the catabolism of other small amino acids. Read full article at Wikipedia Formula C25H42N7O17P3S Net Charge 0 Average Mass 837.62524 Monoisotopic Mass 837.15708 InChI InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1 InChIKey AEWHYWSPVRZHCT-NDZSKPAWSA-N SMILES CC(C)C(=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 Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): 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 isobutyryl-CoA (CHEBI:15479) has functional parent coenzyme A (CHEBI:15346) isobutyryl-CoA (CHEBI:15479) has functional parent isobutyric acid (CHEBI:16135) isobutyryl-CoA (CHEBI:15479) has role human metabolite (CHEBI:77746) isobutyryl-CoA (CHEBI:15479) has role mouse metabolite (CHEBI:75771) isobutyryl-CoA (CHEBI:15479) is a methyl-branched fatty acyl-CoA (CHEBI:25271) isobutyryl-CoA (CHEBI:15479) is a short-chain fatty acyl-CoA (CHEBI:61905) isobutyryl-CoA (CHEBI:15479) is conjugate acid of isobutyryl-CoA(4−) (CHEBI:57338) Incoming (S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) has functional parent isobutyryl-CoA (CHEBI:15479) isobutyryl-CoA(4−) (CHEBI:57338) is conjugate base of isobutyryl-CoA (CHEBI:15479) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 2-Methylpropanoyl-CoA KEGG COMPOUND 2-Methylpropionyl-CoA KEGG COMPOUND 2-methylpropionyl-CoA ChEBI isobutanoyl-CoA ChEBI Isobutyryl-CoA KEGG COMPOUND Manual Xrefs Databases C00630 KEGG COMPOUND CO6 PDBeChem HMDB0001243 HMDB Isobutyryl-CoA Wikipedia ISOBUTYRYL-COA MetaCyc View more database links Registry Numbers Types Sources 15621-60-0 CAS Registry Number ChemIDplus 78216 Reaxys Registry Number Reaxys Citations Last Modified 18 August 2017