Monatin
| Internal ID | 7ed569a8-d7f5-402a-86ee-b9e7d15b3918 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids |
| IUPAC Name | (2S,4S)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H16N2O5/c15-10(12(17)18)6-14(21,13(19)20)5-8-7-16-11-4-2-1-3-9(8)11/h1-4,7,10,16,21H,5-6,15H2,(H,17,18)(H,19,20)/t10-,14-/m0/s1 |
| InChI Key | RMLYXMMBIZLGAQ-HZMBPMFUSA-N |
| Popularity | 20 references in papers |
| Molecular Formula | C14H16N2O5 |
| Molecular Weight | 292.29 g/mol |
| Exact Mass | 292.10592162 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | -2.20 |
| 146142-94-1 |
| (2S,4S)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid |
| Monatin, (2S,4S)- |
| TL342VQ3GR |
| SCHEMBL2700624 |
| DTXSID60432020 |
| RMLYXMMBIZLGAQ-HZMBPMFUSA-N |
| AKOS005145817 |
| Q754363 |
| (4S)-4-Hydroxy-4-(1H-indol-3-ylmethyl)-L-glutamic acid |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.73% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.19% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.01% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.07% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.06% | 98.95% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.66% | 94.08% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.77% | 83.10% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 85.00% | 95.48% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.33% | 94.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.03% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Sclerochiton ilicifolius |
| PubChem | 9860847 |
| LOTUS | LTS0219512 |
| wikiData | Q754363 |