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CHEBI:88437 - 3-Methyl-3-buten-2-one
| Formula | C5H8O |
| Net Charge | 0 |
| Average Mass | 84.118 |
| Monoisotopic Mass | 84.05751 |
| SMILES | C=C(C)C(C)=O |
| InChI | InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3 |
| InChIKey | ZGHFDIIVVIFNPS-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | saliva (UBERON:0001836) | PubMed (24421258) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Methyl-3-buten-2-one (CHEBI:88437) has functional parent acrylic acid (CHEBI:18308) |
| 3-Methyl-3-buten-2-one (CHEBI:88437) is a olefinic compound (CHEBI:78840) |
| Synonyms | Source |
|---|---|
| 2-Methyl-1-buten-3-one | HMDB |
| 2-Methyl-1-butene-3-one | HMDB |
| 3-BUTEN,2-ONE,3-METHYL METHYL,ISOPROPENYL,KETONE | HMDB |
| 3-Butene-2-one, 3-methyl | HMDB |
| 3-Methyl-3-buten-2-on | HMDB |
| 3-Methyl-3-Buten-2-one | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0031530 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:814-78-8 | KEGG COMPOUND |
| Citations |
|---|