XYM
Summary
| Name: | (2Z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid |
| Synonyms: | (2Z)-2-hydroxy-3-(carboxymethylthio)propenoic acid |
| Formula: | C5 H6 O5 S |
| Formal charge: | 0 |
| Formula weight: | 178.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (Z)-3-(carboxymethylsulfanyl)-2-hydroxy-prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)CS\C=C(/O)C(O)=O |
| SMILES | CACTVS | 3.352 | OC(=O)CSC=C(O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(C(=O)O)S/C=C(/C(=O)O)\O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C(=O)O)SC=C(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1,6H,2H2,(H,7,8)(H,9,10)/b3-1- |
| InChIKey | InChI | 1.03 | IXLZHTPCCBDKBW-IWQZZHSRSA-N |
