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CHEBI:1438 - 3-(methylthio)propionic acid
| Formula | C4H8O2S |
| Net Charge | 0 |
| Average Mass | 120.173 |
| Monoisotopic Mass | 120.02450 |
| SMILES | CSCCC(=O)O |
| InChI | InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6) |
| InChIKey | CAOMCZAIALVUPA-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | phytotoxin Any toxin produced by a plant. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(methylthio)propionic acid (CHEBI:1438) has functional parent propionic acid (CHEBI:30768) |
| 3-(methylthio)propionic acid (CHEBI:1438) has role phytotoxin (CHEBI:38231) |
| 3-(methylthio)propionic acid (CHEBI:1438) is a thia fatty acid (CHEBI:59643) |
| 3-(methylthio)propionic acid (CHEBI:1438) is conjugate acid of 3-(methylthio)propionate (CHEBI:49016) |
| Incoming Relation(s) |
| 3-(methylthio)propanoyl-CoA (CHEBI:83579) has functional parent 3-(methylthio)propionic acid (CHEBI:1438) |
| butyl 3-(methylsulfanyl)propanoate (CHEBI:156073) has functional parent 3-(methylthio)propionic acid (CHEBI:1438) |
| ethyl 3-(methylthio)propionate (CHEBI:87503) has functional parent 3-(methylthio)propionic acid (CHEBI:1438) |
| 3-(methylthio)propionate (CHEBI:49016) is conjugate base of 3-(methylthio)propionic acid (CHEBI:1438) |
| IUPAC Name |
|---|
| 3-(methylsulfanyl)propanoic acid |
| Synonyms | Source |
|---|---|
| 3-(Methylthio)propionic acid | KEGG COMPOUND |
| 3-methylthiopropanoic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C08276 | KEGG COMPOUND |
| HMDB0001527 | HMDB |
| C00001194 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1743054 | Reaxys |
| CAS:646-01-5 | KEGG COMPOUND |
| CAS:646-01-5 | ChemIDplus |
| Citations |
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