EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H30O2 |
| Net Charge | 0 |
| Average Mass | 242.403 |
| Monoisotopic Mass | 242.22458 |
| SMILES | CCCCCCCOC(=O)CCCCCCC |
| InChI | InChI=1S/C15H30O2/c1-3-5-7-9-11-13-15(16)17-14-12-10-8-6-4-2/h3-14H2,1-2H3 |
| InChIKey | TZXWLJYLYILFGM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| blood plasma (BTO:0000131) | MetaboLights (MTBLS2128) | ||
| Pooled sample (NCIT:C45910) | MetaboLights (MTBLS2128) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Heptyl octanoate (CHEBI:172098) is a fatty acid ester (CHEBI:35748) |
| IUPAC Name |
|---|
| heptyl octanoate |
| Manual Xrefs | Databases |
|---|---|
| 55278 | ChemSpider |
| HMDB0036218 | HMDB |
| LMFA07010903 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:4265-97-8 | ChemIDplus |