EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:89831 - butyl propionate
| Formula | C7H14O2 |
| Net Charge | 0 |
| Average Mass | 130.187 |
| Monoisotopic Mass | 130.09938 |
| SMILES | CCCCOC(=O)CC |
| InChI | InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3 |
| InChIKey | BTMVHUNTONAYDX-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | faeces (UBERON:0001988) | PubMed (17314143) | |
| Glycine max (ncbitaxon:3847) | - | PubMed (32050669) |
| Roles Classification |
|---|
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). insect attractant A chemical that attracts insects. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| butyl propionate (CHEBI:89831) has functional parent butan-1-ol (CHEBI:28885) |
| butyl propionate (CHEBI:89831) has role flavouring agent (CHEBI:35617) |
| butyl propionate (CHEBI:89831) has role human metabolite (CHEBI:77746) |
| butyl propionate (CHEBI:89831) has role insect attractant (CHEBI:24850) |
| butyl propionate (CHEBI:89831) has role plant metabolite (CHEBI:76924) |
| butyl propionate (CHEBI:89831) is a propanoate ester (CHEBI:36243) |
| IUPAC Name |
|---|
| butyl propanoate |
| Synonyms | Source |
|---|---|
| butyl propionate | ChemIDplus |
| n-butyl n-propionate | HMDB |
| n-butylpropionate | ChemIDplus |
| n-butyl propanoate | ChemIDplus |
| propionic acid butyl ester | ChEBI |
| FEMA 2211 | ChemIDplus |
| UniProt Name | Source |
|---|---|
| butyl propanoate | UniProt |
| Citations |
|---|