Showing Metabocard for 3-[(2'-methylsulfanyl)ethyl]malate (BASm0008409)
| Common Name | 3-[(2'-methylsulfanyl)ethyl]malate |
|---|---|
| Description | A 3-(ω-methylthio)alkylmalate(2−) obtained by deprotonation of both carboxy groups of 3-(2-methylthioethyl)malic acid; major species at pH 7.3. |
| Structure | |
| Molecular Formula | C7H10O5S |
| Average Mass | 206.21000 |
| Monoisotopic Mass | 206.02599 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CSCCC(C(=O)[O-])C(O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C7H12O5S/c1-13-3-2-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)/p-2 |
| InChI Key | UZRMQJKPFRLIDG-UHFFFAOYSA-L |
| CHEBI ID | CHEBI:133496 |
| 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 |