EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C6H10O2 |
| Net Charge | 0 |
| Average Mass | 114.144 |
| Monoisotopic Mass | 114.06808 |
| SMILES | CC(C)=CCC(=O)O |
| InChI | InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3,(H,7,8) |
| InChIKey | CQJHAULYLJXJNL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Salinispora tropica CNB-440 (ncbitaxon:369723) | - | PubMed (27490971) | Identified in the headspace. |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-methylpent-3-enoic acid (CHEBI:143856) has role bacterial metabolite (CHEBI:76969) |
| 4-methylpent-3-enoic acid (CHEBI:143856) is a methyl-branched fatty acid (CHEBI:62499) |
| 4-methylpent-3-enoic acid (CHEBI:143856) is a monounsaturated fatty acid (CHEBI:25413) |
| 4-methylpent-3-enoic acid (CHEBI:143856) is a short-chain fatty acid (CHEBI:26666) |
| 4-methylpent-3-enoic acid (CHEBI:143856) is a volatile organic compound (CHEBI:134179) |
| IUPAC Name |
|---|
| 4-methylpent-3-enoic acid |
| Synonyms | Source |
|---|---|
| 4-methyl-3-pentenoic acid | LIPID MAPS |
| pyroterebic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| LMFA01020031 | LIPID MAPS |
| Citations |
|---|