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CHEBI:131392 - 3-hydroxy-2,2-dimethylbutyric acid
| Formula | C6H12O3 |
| Net Charge | 0 |
| Average Mass | 132.159 |
| Monoisotopic Mass | 132.07864 |
| SMILES | CC(O)C(C)(C)C(=O)O |
| InChI | InChI=1S/C6H12O3/c1-4(7)6(2,3)5(8)9/h4,7H,1-3H3,(H,8,9) |
| InChIKey | RVWQQCKPTVZHJM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (1814736) | |
| Homo sapiens (ncbitaxon:9606) | |||
| - | MetaboLights (MTBLS298) | ||
| - | PubMed (26839171) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-hydroxy-2,2-dimethylbutyric acid (CHEBI:131392) has role drug metabolite (CHEBI:49103) |
| 3-hydroxy-2,2-dimethylbutyric acid (CHEBI:131392) has role rat metabolite (CHEBI:86264) |
| 3-hydroxy-2,2-dimethylbutyric acid (CHEBI:131392) is a 3-hydroxy monocarboxylic acid (CHEBI:35969) |
| IUPAC Name |
|---|
| 3-hydroxy-2,2-dimethylbutanoic acid |
| Synonyms | Source |
|---|---|
| DMHB | ChemIDplus |
| 2,2-Dimethyl-3-hydroxybutanoic acid | ChemIDplus |
| 2,2-Dimethyl-3-hydroxybutyric acid | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 134834 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1752724 | Reaxys |
| CAS:29269-83-8 | ChemIDplus |
| Citations |
|---|