EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:132549 - butyl hexadecanoate
| Formula | C20H40O2 |
| Net Charge | 0 |
| Average Mass | 312.538 |
| Monoisotopic Mass | 312.30283 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCCCC |
| InChI | InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3 |
| InChIKey | GLYJVQDYLFAUFC-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Arabidopsis thaliana (ncbitaxon:3702) | - | MetaboLights (MTBLS338) | |
| Caryocar brasiliense (ncbitaxon:480971) | - | DOI (10.1016/j.jfca.2008.05.006) | |
| Ixodes scapularis (ncbitaxon:6945) | - | PubMed (26864785) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. |
| Application: | insect repellent An insecticide that acts as a repellent to insects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| butyl hexadecanoate (CHEBI:132549) has role animal metabolite (CHEBI:75767) |
| butyl hexadecanoate (CHEBI:132549) has role insect repellent (CHEBI:71692) |
| butyl hexadecanoate (CHEBI:132549) has role plant metabolite (CHEBI:76924) |
| butyl hexadecanoate (CHEBI:132549) is a hexadecanoate ester (CHEBI:25835) |
| IUPAC Name |
|---|
| butyl hexadecanoate |
| Synonyms | Source |
|---|---|
| Hexadecanoic acid, butyl ester | NIST Chemistry WebBook |
| Butyl palmitate | ChemIDplus |
| n-Butyl hexadecanoate | ChemIDplus |
| n-Butyl palmitate | ChemIDplus |
| Palmitic acid, butyl ester | NIST Chemistry WebBook |
| Citations |
|---|