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CHEBI:89561 - butyl hexanoate
| Formula | C10H20O2 |
| Net Charge | 0 |
| Average Mass | 172.268 |
| Monoisotopic Mass | 172.14633 |
| SMILES | CCCCCC(=O)OCCCC |
| InChI | InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3 |
| InChIKey | RPRPDTXKGSIXMD-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | faeces (UBERON:0001988) | PubMed (17314143) | |
| Cerasus humilis (ncbitaxon:434060) | - | PubMed (27664650) | |
| Crataegus mollis (ncbitaxon:36593) | - | PubMed (29923080) |
| 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 hexanoate (CHEBI:89561) has functional parent butan-1-ol (CHEBI:28885) |
| butyl hexanoate (CHEBI:89561) has role flavouring agent (CHEBI:35617) |
| butyl hexanoate (CHEBI:89561) has role human metabolite (CHEBI:77746) |
| butyl hexanoate (CHEBI:89561) has role insect attractant (CHEBI:24850) |
| butyl hexanoate (CHEBI:89561) has role plant metabolite (CHEBI:76924) |
| butyl hexanoate (CHEBI:89561) is a hexanoate ester (CHEBI:87656) |
| butyl hexanoate (CHEBI:89561) is a volatile organic compound (CHEBI:134179) |
| IUPAC Name |
|---|
| butyl hexanoate |
| Synonyms | Source |
|---|---|
| butyl ester of hexanoic acid | NIST Chemistry WebBook |
| n-butyl n-hexanoate | NIST Chemistry WebBook |
| butyl caproate | ChemIDplus |
| n-caproic acid n-butyl ester | NIST Chemistry WebBook |
| n-butyl caproate | NIST Chemistry WebBook |
| n-butyl hexanoate | ChemIDplus |
| UniProt Name | Source |
|---|---|
| butyl hexanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0040211 | HMDB |
| FDB019923 | FooDB |
| LMFA07010436 | LIPID MAPS |
| Citations |
|---|