Bioactive Compound Details
| BioID | bio199817 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL60941 |
| Molecular Formula | C6H10O4S |
| Molecular Weight | 178.21 |
| Molecular Weight (Monoisotopic) | 178.03 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Mercaptomethyl-Pentanedioic Acid |
| Smiles | O=C(O)CCC(CS)C(=O)O |
| Inchi | InChI=1S/C6H10O4S/c7-5(8)2-1-4(3-11)6(9)10/h4,11H,1-3H2,(H,7,8)(H,9,10) |
| Inchi Key | LDFDXRPEWZHIML-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.78 |
| Records Key | ['4b'] |
| Records Name | ['2-Mercaptomethyl-pentanedioic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
