Levomefolic Acid
Representations & DB's id
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| ChEBI: | CHEBI:15641 | |
|---|---|---|
| ChEMBL: | CHEMBL1231574 | |
| PubChem: | 444412 | |
| IUPAC: | (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid | |
| Standard InChI: | InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1 | |
| Standard InChI Key: | ZNOVTXRBGFNYRX-STQMWFEESA-N | |
| SMILES: | OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NC[C@H]1CNc2c(N1C)c(O)nc(=N)[nH]2 | |
Molecular propeties
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| AlogP: | -0.26 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 7 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 3 | |
| Molecular Weight: | 459.19 | |
| Topological polar surface area: | 199 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.35 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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