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CHEBI:80945 - octan-3-ol
| Formula | C8H18O |
| Net Charge | 0 |
| Average Mass | 130.231 |
| Monoisotopic Mass | 130.13577 |
| SMILES | CCCCCC(O)CC |
| InChI | InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3 |
| InChIKey | NMRPBPVERJPACX-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | faeces (UBERON:0001988) | PubMed (17314143) | |
| Starmerella bacillaris (ncbitaxon:1247836) | - | MetaboLights (MTBLS212) | |
| Vitis vinifera (ncbitaxon:29760) | - | MetaboLights (MTBLS212) |
| Roles Classification |
|---|
| Chemical Role: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Biological Roles: | pheromone A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| octan-3-ol (CHEBI:80945) has role flavouring agent (CHEBI:35617) |
| octan-3-ol (CHEBI:80945) has role human metabolite (CHEBI:77746) |
| octan-3-ol (CHEBI:80945) has role pheromone (CHEBI:26013) |
| octan-3-ol (CHEBI:80945) has role plant metabolite (CHEBI:76924) |
| octan-3-ol (CHEBI:80945) is a octanol (CHEBI:37868) |
| octan-3-ol (CHEBI:80945) is a secondary alcohol (CHEBI:35681) |
| IUPAC Name |
|---|
| octan-3-ol |
| Synonyms | Source |
|---|---|
| 1-ethylhexanol | ChemIDplus |
| 3-octanol | ChemIDplus |
| amyl ethyl carbinol | ChemIDplus |
| ethyl amyl carbinol | ChemIDplus |
| ethylhexyl alcohol | ChEBI |
| FEMA 3581 | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C00035495 | KNApSAcK |
| C17144 | KEGG COMPOUND |
| HMDB0030070 | HMDB |
| LMFA05000568 | LIPID MAPS |
| Citations |
|---|