Showing Metabocard for 2-[(2'-methylsulfanyl)ethyl]malate (BASm0008408)
| Common Name | 2-[(2'-methylsulfanyl)ethyl]malate |
|---|---|
| Description | Dicarboxylate anion of 2-(2-methylthioethyl)malic acid. |
| Structure | |
| Molecular Formula | C7H10O5S |
| Average Mass | 206.21000 |
| Monoisotopic Mass | 206.02599 |
| IUPAC Name | 2-hydroxy-2-[2-(methylsulfanyl)ethyl]butanedioate |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CSCCC(O)(CC(=O)[O-])C(=O)[O-] |
| InChI Identifier | InChI=1S/C7H12O5S/c1-13-3-2-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)/p-2 |
| InChI Key | FZNWJRXTACKOPU-UHFFFAOYSA-L |
| CHEBI ID | CHEBI:133494 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |