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CHEBI:88452 - ethyl 2-methylbutyrate
| Formula | C7H14O2 |
| Net Charge | 0 |
| Average Mass | 130.187 |
| Monoisotopic Mass | 130.09938 |
| SMILES | CCOC(=O)C(C)CC |
| InChI | InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3 |
| InChIKey | HCRBXQFHJMCTLF-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | faeces (UBERON:0001988) | PubMed (17314143) | |
| Artemisia annua (ncbitaxon:35608) | leaf (BTO:0000713) | DOI (10.1007/s11418-006-0112-9) |
| Roles Classification |
|---|
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | flavouring agent A food additive that is used to added improve the taste or odour of a food. fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ethyl 2-methylbutyrate (CHEBI:88452) has functional parent 2-methylbutyric acid (CHEBI:37070) |
| ethyl 2-methylbutyrate (CHEBI:88452) has functional parent ethanol (CHEBI:16236) |
| ethyl 2-methylbutyrate (CHEBI:88452) has role flavouring agent (CHEBI:35617) |
| ethyl 2-methylbutyrate (CHEBI:88452) has role fragrance (CHEBI:48318) |
| ethyl 2-methylbutyrate (CHEBI:88452) has role human metabolite (CHEBI:77746) |
| ethyl 2-methylbutyrate (CHEBI:88452) has role plant metabolite (CHEBI:76924) |
| ethyl 2-methylbutyrate (CHEBI:88452) is a fatty acid ethyl ester (CHEBI:78206) |
| ethyl 2-methylbutyrate (CHEBI:88452) is a volatile organic compound (CHEBI:134179) |
| IUPAC Name |
|---|
| ethyl 2-methylbutanoate |
| Synonyms | Source |
|---|---|
| butyric acid, 2-methyl-, ethyl ester | ChemIDplus |
| ethyl α-methylbutyrate | ChemIDplus |
| 2-methylbutanoic acid ethyl ester | HMDB |
| butanoic acid, 2-methyl-, ethyl ester | ChemIDplus |
| UniProt Name | Source |
|---|---|
| ethyl 2-methylbutanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C00030220 | KNApSAcK |
| HMDB0033745 | HMDB |
| FDB011877 | FooDB |
| Citations |
|---|