EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H14O2 |
| Net Charge | 0 |
| Average Mass | 130.187 |
| Monoisotopic Mass | 130.09938 |
| SMILES | CCC(=O)OCC(C)C |
| InChI | InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey | FZXRXKLUIMKDEL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | faeces (UBERON:0001988) | PubMed (23454028) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-Methylpropyl propanoate (CHEBI:88813) is a carboxylic ester (CHEBI:33308) |
| Synonyms | Source |
|---|---|
| 2-Methyl-1-propyl propanoate | HMDB |
| 2-methylpropyl propanoate | HMDB |
| 2-Methylpropyl propionate | HMDB |
| Cyclopropyl methyl ether | HMDB |
| FEMA 2212 | HMDB |
| Isobutyl ester of propanoic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0034239 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:540-42-1 | KEGG COMPOUND |
| Citations |
|---|