EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:172070 - 3-Hexenyl 2-methylbutyrate
| Formula | C11H20O2 |
| Net Charge | 0 |
| Average Mass | 184.279 |
| Monoisotopic Mass | 184.14633 |
| SMILES | CCC=CCCOC(=O)C(C)CC |
| InChI | InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3 |
| InChIKey | JKKGTSUICJWEKB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Pooled sample (NCIT:C45910) | MetaboLights (MTBLS2128) | ||
| blood plasma (BTO:0000131) | MetaboLights (MTBLS2128) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Hexenyl 2-methylbutyrate (CHEBI:172070) is a fatty acid ester (CHEBI:35748) |
| IUPAC Name |
|---|
| hex-3-enyl 2-methylbutanoate |
| Manual Xrefs | Databases |
|---|---|
| 55388 | ChemSpider |
| HMDB0032320 | HMDB |
| LMFA07010752 | LIPID MAPS |