4-Hydroxy Isoleucine
Representations & DB's id
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| ChEBI: | CHEBI:78247 | |
|---|---|---|
| ChEMBL: | CHEMBL508094 | |
| PubChem: | 40561613 | |
| IUPAC: | (2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoic acid | |
| Standard InChI: | InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1 | |
| Standard InChI Key: | OSCCDBFHNMXNME-YUPRTTJUSA-N | |
| SMILES: | C[C@@H]([C@@H]([C@@H](C(=O)O)N)C)O | |
Molecular propeties
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| AlogP: | -0.58 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 0 | |
| Molecular Weight: | 147.09 | |
| Topological polar surface area: | 88 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.833 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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