EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:172100 - Octyl heptanoate
| Formula | C15H30O2 |
| Net Charge | 0 |
| Average Mass | 242.403 |
| Monoisotopic Mass | 242.22458 |
| SMILES | CCCCCCCCOC(=O)CCCCCC |
| InChI | InChI=1S/C15H30O2/c1-3-5-7-9-10-12-14-17-15(16)13-11-8-6-4-2/h3-14H2,1-2H3 |
| InChIKey | XAZROQGRFWCMBU-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) |
| Octyl heptanoate (CHEBI:172100) is a carboxylic ester (CHEBI:33308) |
| IUPAC Name |
|---|
| octyl heptanoate |
| Manual Xrefs | Databases |
|---|---|
| 454746 | ChemSpider |
| HMDB0036220 | HMDB |
| LMFA07010981 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:5132-75-2 | ChemIDplus |