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CHEBI:131845 - 2-methylpropane-1,2-diol
| Formula | C4H10O2 |
| Net Charge | 0 |
| Average Mass | 90.122 |
| Monoisotopic Mass | 90.06808 |
| SMILES | CC(C)(O)CO |
| InChI | InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3 |
| InChIKey | BTVWZWFKMIUSGS-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mycobacterium austroafricanum (ncbitaxon:39687) | - | PubMed (16028043) | Strain: IFP 2015 |
| Mus musculus (ncbitaxon:10090) | - | PubMed (23810710) | |
| Mycobacterium sp. (ncbitaxon:1547487) | - | PubMed (25576605) | Strain: ELW1 |
| Homo sapiens (ncbitaxon:9606) | - | PubMed (10490504) | |
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (9179722) |
| Roles Classification |
|---|
| Biological Roles: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-methylpropane-1,2-diol (CHEBI:131845) has parent hydride isobutane (CHEBI:30363) |
| 2-methylpropane-1,2-diol (CHEBI:131845) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| 2-methylpropane-1,2-diol (CHEBI:131845) has role human urinary metabolite (CHEBI:84087) |
| 2-methylpropane-1,2-diol (CHEBI:131845) has role human xenobiotic metabolite (CHEBI:76967) |
| 2-methylpropane-1,2-diol (CHEBI:131845) has role mouse metabolite (CHEBI:75771) |
| 2-methylpropane-1,2-diol (CHEBI:131845) has role rat metabolite (CHEBI:86264) |
| 2-methylpropane-1,2-diol (CHEBI:131845) is a glycol (CHEBI:13643) |
| 2-methylpropane-1,2-diol (CHEBI:131845) is a primary alcohol (CHEBI:15734) |
| 2-methylpropane-1,2-diol (CHEBI:131845) is a tertiary alcohol (CHEBI:26878) |
| IUPAC Name |
|---|
| 2-methylpropane-1,2-diol |
| Synonyms | Source |
|---|---|
| Isobutene glycol | ChemIDplus |
| 2-Methyl-1,2-propanediol | NIST Chemistry WebBook |
| isobutylene glycol | ChEBI |
| UniProt Name | Source |
|---|---|
| 2-methylpropane-1,2-diol | UniProt |
| Citations |
|---|