Bioactive Compound Details
| BioID | bio199117 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1762648 |
| Molecular Formula | C8H15NaO2 |
| Molecular Weight | 166.2 |
| Molecular Weight (Monoisotopic) | 144.115 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Sodium 2-Methylheptanoate |
| Smiles | CCCCCC(C)C(=O)[O-].[Na+] |
| Inchi | InChI=1S/C8H16O2.Na/c1-3-4-5-6-7(2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1 |
| Inchi Key | BNRLJJXPMKKGJR-UHFFFAOYSA-M |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 1.16 |
| Records Key | ['9'] |
| Records Name | ['sodium 2-Methylheptanoate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
