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CHEBI:167644 - 2-methylvaleric acid
| Formula | C6H12O2 |
| Net Charge | 0 |
| Average Mass | 116.160 |
| Monoisotopic Mass | 116.08373 |
| SMILES | CCCC(C)C(=O)O |
| InChI | InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Salix sp. (ncbitaxon:65566) | - | PubMed (20860033) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | flavouring agent A food additive that is used to added improve the taste or odour of a food. fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-methylvaleric acid (CHEBI:167644) has role flavouring agent (CHEBI:35617) |
| 2-methylvaleric acid (CHEBI:167644) has role fragrance (CHEBI:48318) |
| 2-methylvaleric acid (CHEBI:167644) has role plant metabolite (CHEBI:76924) |
| 2-methylvaleric acid (CHEBI:167644) is a branched-chain saturated fatty acid (CHEBI:39417) |
| 2-methylvaleric acid (CHEBI:167644) is a methyl-branched fatty acid (CHEBI:62499) |
| 2-methylvaleric acid (CHEBI:167644) is a monocarboxylic acid (CHEBI:25384) |
| 2-methylvaleric acid (CHEBI:167644) is a short-chain fatty acid (CHEBI:26666) |
| 2-methylvaleric acid (CHEBI:167644) is conjugate acid of 2-methylvalerate (CHEBI:167611) |
| Incoming Relation(s) |
| 2-methylvalerate (CHEBI:167611) is conjugate base of 2-methylvaleric acid (CHEBI:167644) |
| IUPAC Name |
|---|
| 2-methylpentanoic acid |
| Synonyms | Source |
|---|---|
| 2-pentanecarboxylic acid | ChemIDplus |
| α-methylvaleric acid | ChemIDplus |
| FEMA 2754 | ChemIDplus |
| methylpropylacetic acid | ChemIDplus |
| 2-methyl-n-valeric acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| FDB008203 | FooDB |
| LMFA01020074 | LIPID MAPS |
| 7064 | ChemSpider |
| Citations |
|---|