5-methyltetrahydrofolate(2-)
AlkaPlorer ID: AK024846
Synonym: '5-Methyltetrahydrofolic acid', 'N-(5-methyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid', '(6S)-5-methyl-5,6,7,8-tetrahydropteroylglutamate', '(6S)-5-methyltetrahydrofolate', '(6S)-5-methyl-5,6,7,8-tetrahydrofolate', '5-Methyl-tetrahydrofolate', '5-methyltetrahydrofolic acid', '5-Methyltetrahydrofolate'
IUPAC Name: (2S)-2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Structure
SMILES: CN1C2=C(NCC1CNC1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1)NC(=N)N=C2O
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
InChIKey: ZNOVTXRBGFNYRX-ABLWVSNPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Capsicum annuum | Capsicum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 459.4630000000002
TPSA？: 203.76
MolLogP？: -0.0150299999999982
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli (strain K12) | Bifunctional protein FolC | Inhibition | nan | % | 10.1038/nchembio.108 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |