EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H10O3S |
| Net Charge | 0 |
| Average Mass | 162.210 |
| Monoisotopic Mass | 162.03507 |
| SMILES | CSCCCC(=O)C(=O)O |
| InChI | InChI=1S/C6H10O3S/c1-10-4-2-3-5(7)6(8)9/h2-4H2,1H3,(H,8,9) |
| InChIKey | MPJMAJLPWRBNBU-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-methylthio-2-oxopentanoic acid (CHEBI:50260) is a ω-(methylthio)-2-oxocarboxylic acid (CHEBI:134529) |
| 5-methylthio-2-oxopentanoic acid (CHEBI:50260) is conjugate acid of 5-methylthio-2-oxopentanoate (CHEBI:58815) |
| Incoming Relation(s) |
| 5-methylthio-2-oxopentanoate (CHEBI:58815) is conjugate base of 5-methylthio-2-oxopentanoic acid (CHEBI:50260) |
| IUPAC Name |
|---|
| 5-(methylsulfanyl)-2-oxopentanoic acid |
| Synonyms | Source |
|---|---|
| 5-(Methylthio)-2-oxo-pentanoic acid | KEGG COMPOUND |
| 2-Oxo-5-methylthiopentanoic acid | KEGG COMPOUND |