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CHEBI:11851 - 3-methyl-2-oxobutanoate
| Formula | C5H7O3 |
| Net Charge | -1 |
| Average Mass | 115.108 |
| Monoisotopic Mass | 115.04007 |
| SMILES | CC(C)C(=O)C(=O)[O-] |
| InChI | InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)/p-1 |
| InChIKey | QHKABHOOEWYVLI-UHFFFAOYSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Roles Classification |
|---|
| Biological Roles: | 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 ). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methyl-2-oxobutanoate (CHEBI:11851) has functional parent butyrate (CHEBI:17968) |
| 3-methyl-2-oxobutanoate (CHEBI:11851) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| 3-methyl-2-oxobutanoate (CHEBI:11851) has role human metabolite (CHEBI:77746) |
| 3-methyl-2-oxobutanoate (CHEBI:11851) is a 2-oxo monocarboxylic acid anion (CHEBI:35179) |
| 3-methyl-2-oxobutanoate (CHEBI:11851) is a branched-chain fatty acid anion (CHEBI:58955) |
| 3-methyl-2-oxobutanoate (CHEBI:11851) is a branched-chain keto acid anion (CHEBI:191201) |
| 3-methyl-2-oxobutanoate (CHEBI:11851) is a oxo fatty acid anion (CHEBI:59836) |
| 3-methyl-2-oxobutanoate (CHEBI:11851) is conjugate base of 3-methyl-2-oxobutanoic acid (CHEBI:16530) |
| Incoming Relation(s) |
| 3-methyl-2-oxobutanoic acid (CHEBI:16530) is conjugate acid of 3-methyl-2-oxobutanoate (CHEBI:11851) |
| IUPAC Name |
|---|
| 3-methyl-2-oxobutanoate |
| Synonyms | Source |
|---|---|
| 2-Oxo-3-methylbutanoate | KEGG COMPOUND |
| 2-Oxoisopentanoate | KEGG COMPOUND |
| 2-Oxoisovalerate | KEGG COMPOUND |
| 3-methyl-2-oxobutyrate | ChEBI |
| α-keto-isovalerate | ChEBI |
| UniProt Name | Source |
|---|---|
| 3-methyl-2-oxobutanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 2-KETO-ISOVALERATE | MetaCyc |
| C00141 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3661467 | Reaxys |
| Citations |
|---|