CHEBI:16530 - 3-methyl-2-oxobutanoic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-methyl-2-oxobutanoic acid ChEBI ID CHEBI:16530 Definition A 2-oxo monocarboxylic acid that is the 2-oxo derivative of isovaleric acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:20115, CHEBI:43714, CHEBI:1584 Supplier Information ChemicalBook:CB6119335, eMolecules:969219, ZINC000000057058 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C5H8O3 Net Charge 0 Average Mass 116.11520 Monoisotopic Mass 116.04734 InChI InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) InChIKey QHKABHOOEWYVLI-UHFFFAOYSA-N SMILES CC(C)C(=O)C(O)=O Metabolite of Species Details Saccharomyces cerevisiae (NCBI:txid4932) See: PubMed Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). View more via ChEBI Ontology ChEBI Ontology Outgoing 3-methyl-2-oxobutanoic acid (CHEBI:16530) has functional parent butyric acid (CHEBI:30772) 3-methyl-2-oxobutanoic acid (CHEBI:16530) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 3-methyl-2-oxobutanoic acid (CHEBI:16530) has role human metabolite (CHEBI:77746) 3-methyl-2-oxobutanoic acid (CHEBI:16530) is a 2-oxo monocarboxylic acid (CHEBI:35910) 3-methyl-2-oxobutanoic acid (CHEBI:16530) is a branched-chain keto acid (CHEBI:191197) 3-methyl-2-oxobutanoic acid (CHEBI:16530) is conjugate acid of 3-methyl-2-oxobutanoate (CHEBI:11851) 3-methyl-2-oxobutanoic acid (CHEBI:16530) is tautomer of 2-hydroxy-3-methyl-2-butenoic acid (CHEBI:132177) Incoming 3-methyl-2-oxobutanoate (CHEBI:11851) is conjugate base of 3-methyl-2-oxobutanoic acid (CHEBI:16530) 2-hydroxy-3-methyl-2-butenoic acid (CHEBI:132177) is tautomer of 3-methyl-2-oxobutanoic acid (CHEBI:16530) IUPAC Name 3-methyl-2-oxobutanoic acid Synonyms Sources 2-Keto-3-methylbutyric acid KEGG COMPOUND 2-Ketoisovaleric acid HMDB 2-Ketovaline KEGG COMPOUND 2-Oxo-3-methylbutanoic acid HMDB 2-Oxo-3-methylbutyric acid HMDB 2-Oxoisovaleric acid HMDB 3-Methyl-2-oxobutanoate KEGG COMPOUND 3-Methyl-2-oxobutanoic acid KEGG COMPOUND 3-METHYL-2-OXOBUTANOIC ACID PDBeChem 3-Methyl-2-oxobutyric acid KEGG COMPOUND α-keto-isovaleric acid HMDB alpha-Ketovaline KEGG COMPOUND α-oxo-β-methylbutyricacid HMDB α-oxoisovaleric acid HMDB Dimethylpyruvic acid HMDB Isopropylglyoxylic acid HMDB Manual Xrefs Databases 2-KETO-ISOVALERATE MetaCyc C00007623 KNApSAcK C00141 KEGG COMPOUND DB04074 DrugBank HMDB0000019 HMDB KIV PDBeChem LMFA01020274 LIPID MAPS View more database links Registry Numbers Types Sources 1744951 Reaxys Registry Number Reaxys 759-05-7 CAS Registry Number KEGG COMPOUND 759-05-7 CAS Registry Number ChemIDplus Citations Types Sources 17190852 PubMed citation Europe PMC 192504 PubMed citation Europe PMC 7021997 PubMed citation Europe PMC Last Modified 22 April 2022