Bioactive Compound Details
| BioID | bio197074 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL12569 |
| Molecular Formula | C6H11NaO2 |
| Molecular Weight | 138.14 |
| Molecular Weight (Monoisotopic) | 116.0837 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Sodium 2-Methyl-Pentanoate|Sodium 2-Methylvalerate |
| Smiles | CCCC(C)C(=O)[O-].[Na+] |
| Inchi | InChI=1S/C6H12O2.Na/c1-3-4-5(2)6(7)8;/h5H,3-4H2,1-2H3,(H,7,8);/q;+1/p-1 |
| Inchi Key | QRKHXHCQOKFTCB-UHFFFAOYSA-M |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 0.76 |
| Records Key | ['3'] |
| Records Name | ['sodium 2-Methylvalerate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
