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CHEBI:88370 - hexan-2-ol
| Formula | C6H14O |
| Net Charge | 0 |
| Average Mass | 102.177 |
| Monoisotopic Mass | 102.10447 |
| SMILES | CCCCC(C)O |
| InChI | InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3 |
| InChIKey | QNVRIHYSUZMSGM-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | saliva (UBERON:0001836) | PubMed (24657864) | |
| Osyris wightiana (ncbitaxon:210363) | - | PubMed (33671950) |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). semiochemical A molecular messenger released by an organism that affects the behaviour within or between species. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hexan-2-ol (CHEBI:88370) has role human metabolite (CHEBI:77746) |
| hexan-2-ol (CHEBI:88370) has role plant metabolite (CHEBI:76924) |
| hexan-2-ol (CHEBI:88370) has role semiochemical (CHEBI:26645) |
| hexan-2-ol (CHEBI:88370) is a hexanol (CHEBI:143552) |
| hexan-2-ol (CHEBI:88370) is a secondary alcohol (CHEBI:35681) |
| IUPAC Name |
|---|
| hexan-2-ol |
| Synonyms | Source |
|---|---|
| 1-methyl-1-pentanol | ChEBI |
| 2-hexanol | ChemIDplus |
| 2-hexyl alcohol | NIST Chemistry WebBook |
| 2-hydroxyhexane | ChemIDplus |
| n-butylmethylcarbinol | NIST Chemistry WebBook |
| n-C4H9CH(OH)CH3 | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| hexan-2-ol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 11794 | ChemSpider |
| 2-Hexanol | Wikipedia |
| CPD-18993 | MetaCyc |
| FDB004514 | FooDB |
| HMDB0061886 | HMDB |
| LMFA05000467 | LIPID MAPS |
| Citations |
|---|