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CHEBI:36432 - 2-methylbut-2-enoic acid
| Formula | C5H8O2 |
| Net Charge | 0 |
| Average Mass | 100.117 |
| Monoisotopic Mass | 100.05243 |
| SMILES | [H]C(C)=C(C)C(=O)O |
| InChI | InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7) |
| InChIKey | UIERETOOQGIECD-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-methylbut-2-enoic acid (CHEBI:36432) has functional parent 2-butenoic acid (CHEBI:17217) |
| 2-methylbut-2-enoic acid (CHEBI:36432) has role metabolite (CHEBI:25212) |
| 2-methylbut-2-enoic acid (CHEBI:36432) is a methyl-branched fatty acid (CHEBI:62499) |
| 2-methylbut-2-enoic acid (CHEBI:36432) is a monounsaturated fatty acid (CHEBI:25413) |
| 2-methylbut-2-enoic acid (CHEBI:36432) is a short-chain fatty acid (CHEBI:26666) |
| 2-methylbut-2-enoic acid (CHEBI:36432) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| Incoming Relation(s) |
| 2-methylbut-2-enoyl-coenzyme A (CHEBI:11614) has functional parent 2-methylbut-2-enoic acid (CHEBI:36432) |
| angelic acid (CHEBI:36431) is a 2-methylbut-2-enoic acid (CHEBI:36432) |
| heliosupine (CHEBI:5641) is a 2-methylbut-2-enoic acid (CHEBI:36432) |
| tiglic acid (CHEBI:9592) is a 2-methylbut-2-enoic acid (CHEBI:36432) |
| IUPAC Name |
|---|
| 2-methylbut-2-enoic acid |
| Synonyms | Source |
|---|---|
| 2-methyl-2-butenoic acid | ChemIDplus |
| α-methylcrotonic acid | NIST Chemistry WebBook |
| 2-methylcrotonic acid | ChEBI |
| tiglic acid | ChEBI |
| methylmethacrylic acid | ChEBI |
| 2,3-dimethylacrylic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Gmelin:217675 | Gmelin |
| Reaxys:8541120 | Reaxys |
| CAS:13201-46-2 | ChemIDplus |
| CAS:13201-46-2 | NIST Chemistry WebBook |
| Citations |
|---|