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CHEBI:37127 - 3-methylbut-2-enoic acid
| Formula | C5H8O2 |
| Net Charge | 0 |
| Average Mass | 100.117 |
| Monoisotopic Mass | 100.05243 |
| SMILES | CC(C)=CC(=O)O |
| InChI | InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7) |
| InChIKey | YYPNJNDODFVZLE-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methylbut-2-enoic acid (CHEBI:37127) has functional parent 2-butenoic acid (CHEBI:17217) |
| 3-methylbut-2-enoic acid (CHEBI:37127) has role plant metabolite (CHEBI:76924) |
| 3-methylbut-2-enoic acid (CHEBI:37127) is a methyl-branched fatty acid (CHEBI:62499) |
| 3-methylbut-2-enoic acid (CHEBI:37127) is a monounsaturated fatty acid (CHEBI:25413) |
| 3-methylbut-2-enoic acid (CHEBI:37127) is a short-chain fatty acid (CHEBI:26666) |
| 3-methylbut-2-enoic acid (CHEBI:37127) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| Incoming Relation(s) |
| 2-hydroxy-3-methyl-2-butenoic acid (CHEBI:132177) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| 3-methylbut-2-enal (CHEBI:15825) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| 3-methylbut-2-enoyl-CoA (CHEBI:15486) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| 3-methylcrotonyl glycine (CHEBI:68499) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| 4-senecioyloxymethyl-6,7-dimethoxycoumarin (CHEBI:66463) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| alvaradoin G (CHEBI:65392) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| alvaradoin H (CHEBI:65393) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| alvaradoin I (CHEBI:65394) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| alvaradoin J (CHEBI:65395) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| alvaradoin K (CHEBI:65396) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| alvaradoin L (CHEBI:65397) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| alvaradoin M (CHEBI:65398) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| cystodytin D (CHEBI:65710) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| cystodytin F (CHEBI:65712) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| cystodytin H (CHEBI:65714) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| gutolactone (CHEBI:65989) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| hookerianamide J (CHEBI:66022) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| vibsanin B (CHEBI:131781) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127) |
| IUPAC Name |
|---|
| 3-methylbut-2-enoic acid |
| Synonyms | Source |
|---|---|
| 3,3-Dimethylacrylic acid | ChemIDplus |
| 3-Methyl-2-butenoic acid | ChemIDplus |
| 3-Methylcrotonic acid | ChemIDplus |
| SENECIC ACID | NIST Chemistry WebBook |
| Senecioic acid | ChemIDplus |
| β-Methylcrotonic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| CN101391948 | Patent |
| LMFA01020097 | LIPID MAPS |
| WO2012025270 | Patent |
| Citations |
|---|