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CHEBI:77518 - pentan-2-ol
| Formula | C5H12O |
| Net Charge | 0 |
| Average Mass | 88.150 |
| Monoisotopic Mass | 88.08882 |
| SMILES | CCCC(C)O |
| InChI | InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3 |
| InChIKey | JYVLIDXNZAXMDK-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | faeces (UBERON:0001988) | PubMed (17314143) | |
| Starmerella bacillaris (ncbitaxon:1247836) | - | MetaboLights (MTBLS212) | From MetaboLights |
| Vitis vinifera (ncbitaxon:29760) | - | MetaboLights (MTBLS212) | From MetaboLights |
| Roles Classification |
|---|
| Chemical Role: | polar solvent A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds. |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | polar solvent A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds. fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pentan-2-ol (CHEBI:77518) has role fragrance (CHEBI:48318) |
| pentan-2-ol (CHEBI:77518) has role plant metabolite (CHEBI:76924) |
| pentan-2-ol (CHEBI:77518) has role polar solvent (CHEBI:48354) |
| pentan-2-ol (CHEBI:77518) is a pentanol (CHEBI:143597) |
| pentan-2-ol (CHEBI:77518) is a secondary alcohol (CHEBI:35681) |
| Incoming Relation(s) |
| (S)-1'-methylbutyl caffeate (CHEBI:70482) has functional parent pentan-2-ol (CHEBI:77518) |
| IUPAC Name |
|---|
| pentan-2-ol |
| Synonyms | Source |
|---|---|
| alpha-methylbutanol | ChemIDplus |
| sec-amyl alcohol | ChemIDplus |
| sec-pentyl alcohol | ChemIDplus |
| 2-hydroxypentane | ChemIDplus |
| 1-methyl-1-butanol | ChemIDplus |
| methyl propyl carbinol | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| HMDB0031599 | HMDB |
| 2-Pentanol | Wikipedia |
| FDB011151 | FooDB |
| CPD-18991 | MetaCyc |
| C00062394 | KNApSAcK |
| Citations |
|---|