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CHEBI:16638 - 3-methylbutanal
| Formula | C5H10O |
| Net Charge | 0 |
| Average Mass | 86.134 |
| Monoisotopic Mass | 86.07316 |
| SMILES | [H]C(=O)CC(C)C |
| InChI | InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3 |
| InChIKey | YGHRJJRRZDOVPD-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Roles Classification |
|---|
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methylbutanal (CHEBI:16638) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| 3-methylbutanal (CHEBI:16638) has role flavouring agent (CHEBI:35617) |
| 3-methylbutanal (CHEBI:16638) has role plant metabolite (CHEBI:76924) |
| 3-methylbutanal (CHEBI:16638) has role volatile oil component (CHEBI:27311) |
| 3-methylbutanal (CHEBI:16638) is a methylbutanal (CHEBI:25282) |
| IUPAC Name |
|---|
| 3-methylbutanal |
| Synonyms | Source |
|---|---|
| 3-Methylbutanal | KEGG COMPOUND |
| 3-methylbutyraldehyde | ChEBI |
| Isoamyl aldehyde | ChemIDplus |
| iso-C4H9CHO | NIST Chemistry WebBook |
| Isopentaldehyde | ChemIDplus |
| Isovaleral | ChemIDplus |
| UniProt Name | Source |
|---|---|
| 3-methylbutanal | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C07329 | KEGG COMPOUND |
| C07329 | KEGG COMPOUND |
| CPD-7031 | MetaCyc |
| HMDB0006478 | HMDB |
| Isovaleraldehyde | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:773692 | Reaxys |
| CAS:590-86-3 | KEGG COMPOUND |
| CAS:590-86-3 | ChemIDplus |
| Citations |
|---|