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CHEBI:28654 - 3-methyl-2-oxovalerate
| Formula | C6H9O3 |
| Net Charge | -1 |
| Average Mass | 129.135 |
| Monoisotopic Mass | 129.05572 |
| SMILES | CCC(C)C(=O)C(=O)[O-] |
| InChI | InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1 |
| InChIKey | JVQYSWDUAOAHFM-UHFFFAOYSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methyl-2-oxovalerate (CHEBI:28654) has functional parent valerate (CHEBI:31011) |
| 3-methyl-2-oxovalerate (CHEBI:28654) has role human metabolite (CHEBI:77746) |
| 3-methyl-2-oxovalerate (CHEBI:28654) is a 2-oxo monocarboxylic acid anion (CHEBI:35179) |
| 3-methyl-2-oxovalerate (CHEBI:28654) is a branched-chain keto acid anion (CHEBI:191201) |
| 3-methyl-2-oxovalerate (CHEBI:28654) is conjugate base of 3-methyl-2-oxovaleric acid (CHEBI:35932) |
| Incoming Relation(s) |
| (R)-3-methyl-2-oxovalerate (CHEBI:228255) is a 3-methyl-2-oxovalerate (CHEBI:28654) |
| (S)-3-methyl-2-oxovalerate (CHEBI:35146) is a 3-methyl-2-oxovalerate (CHEBI:28654) |
| 3-methyl-2-oxovaleric acid (CHEBI:35932) is conjugate acid of 3-methyl-2-oxovalerate (CHEBI:28654) |
| IUPAC Name |
|---|
| 3-methyl-2-oxopentanoate |
| Synonyms | Source |
|---|---|
| 2-keto-3-methylvalerate | HMDB |
| 2-Oxo-3-methylpentanoate | HMDB |
| 2-Oxo-3-methylvalerate | KEGG COMPOUND |
| 3-Methyl-2-oxopentanoate | HMDB |
| 3-Methyl-2-oxovalerate | HMDB |
| α-keto-β-methylvalerate | ChEBI |
| UniProt Name | Source |
|---|---|
| 3-methyl-2-oxopentanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C03465 | KEGG COMPOUND |
| HMDB0000491 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3904281 | Reaxys |