EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:43003 - heptan-1-ol
| Formula | C7H16O |
| Net Charge | 0 |
| Average Mass | 116.204 |
| Monoisotopic Mass | 116.12012 |
| SMILES | CCCCCCCO |
| InChI | InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 |
| InChIKey | BBMCTIGTTCKYKF-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Capillipedium parviflorum (ncbitaxon:79829) | aerial part (BTO:0001658) | PubMed (15279990) | |
| Homo sapiens (ncbitaxon:9606) | faeces (UBERON:0001988) | PubMed (20055983) |
| Roles Classification |
|---|
| Chemical Role: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Biological Roles: | gap junctional intercellular communication inhibitor An inhibitor that interferes with the process of gap junctional intercellular communication. 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. |
| Applications: | fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| heptan-1-ol (CHEBI:43003) has role flavouring agent (CHEBI:35617) |
| heptan-1-ol (CHEBI:43003) has role fragrance (CHEBI:48318) |
| heptan-1-ol (CHEBI:43003) has role gap junctional intercellular communication inhibitor (CHEBI:67195) |
| heptan-1-ol (CHEBI:43003) has role plant metabolite (CHEBI:76924) |
| heptan-1-ol (CHEBI:43003) is a heptanol (CHEBI:195607) |
| heptan-1-ol (CHEBI:43003) is a primary alcohol (CHEBI:15734) |
| IUPAC Name |
|---|
| heptan-1-ol |
| Synonyms | Source |
|---|---|
| 1-heptanol | ChemIDplus |
| 1-hydroxy heptane | ChemIDplus |
| alcohol C-7 | ChemIDplus |
| n-heptan-1-ol | ChemIDplus |
| n-heptanol | ChemIDplus |
| n-heptanol-1 | ChemIDplus |
| UniProt Name | Source |
|---|---|
| heptan-1-ol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 1-Heptanol | Wikipedia |
| C00035700 | KNApSAcK |
| CPD-9057 | MetaCyc |
| FDB008053 | FooDB |
| HE4 | PDBeChem |
| HMDB0031479 | HMDB |
| LMFA05000122 | LIPID MAPS |
| Citations |
|---|