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CHEBI:47870 - (methylthio)acetic acid
| Formula | C3H6O2S |
| Net Charge | 0 |
| Average Mass | 106.146 |
| Monoisotopic Mass | 106.00885 |
| SMILES | CSCC(=O)O |
| InChI | InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5) |
| InChIKey | HGTBAIVLETUVCG-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (methylthio)acetic acid (CHEBI:47870) has functional parent thioglycolic acid (CHEBI:30065) |
| (methylthio)acetic acid (CHEBI:47870) has role xenobiotic metabolite (CHEBI:76206) |
| (methylthio)acetic acid (CHEBI:47870) is a methyl sulfide (CHEBI:86315) |
| (methylthio)acetic acid (CHEBI:47870) is a monocarboxylic acid (CHEBI:25384) |
| (methylthio)acetic acid (CHEBI:47870) is a sulfur-containing carboxylic acid (CHEBI:33576) |
| (methylthio)acetic acid (CHEBI:47870) is conjugate acid of (methylthio)acetate (CHEBI:18071) |
| Incoming Relation(s) |
| butyl 2-(methylsulfanyl)acetate (CHEBI:156077) has functional parent (methylthio)acetic acid (CHEBI:47870) |
| (methylthio)acetate (CHEBI:18071) is conjugate base of (methylthio)acetic acid (CHEBI:47870) |
| IUPAC Name |
|---|
| (methylsulfanyl)acetic acid |
| Synonyms | Source |
|---|---|
| S-Methylthioglycolate | KEGG COMPOUND |
| (Methylthio)acetic acid | KEGG COMPOUND |
| 2-methylthioacetic acid | NIST Chemistry WebBook |
| methylsulfenylacetic acid | ChEBI |
| methylmercaptoacetic acid | ChEBI |
| Citations |
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