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CHEBI:89993 - 4-Methyl-3-penten-2-one, 9CI
| Formula | C6H10O |
| Net Charge | 0 |
| Average Mass | 98.145 |
| Monoisotopic Mass | 98.07316 |
| SMILES | CC(=O)C=C(C)C |
| InChI | InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3 |
| InChIKey | SHOJXDKTYKFBRD-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| faeces (UBERON:0001988) | PubMed (17314143) | ||
| saliva (UBERON:0001836) | PubMed (24657864) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-Methyl-3-penten-2-one, 9CI (CHEBI:89993) has functional parent acrylic acid (CHEBI:18308) |
| 4-Methyl-3-penten-2-one, 9CI (CHEBI:89993) is a olefinic compound (CHEBI:78840) |
| Synonyms | Source |
|---|---|
| 1-Methylpent-2-en-4-one | HMDB |
| 2,2-Dimethylvinyl methyl ketone | HMDB |
| 2-Methyl-2-penten-4-one | HMDB |
| 2-Methyl-2-pentenone-4 | HMDB |
| 2-Methyl-4-oxo-2-pentene | HMDB |
| 3-Isohexen-2-one | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0031563 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:141-79-7 | KEGG COMPOUND |
| Citations |
|---|