1-[2-Amino-3-(carboxymethylamino)-3-sulfanylidenepropyl]-5-oxopiperidine-2-carboxylic acid
| Internal ID | a4169cae-db6c-4f1f-b649-23549bd2897f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids |
| IUPAC Name | 1-[2-amino-3-(carboxymethylamino)-3-sulfanylidenepropyl]-5-oxopiperidine-2-carboxylic acid |
| SMILES (Canonical) | C1CC(=O)CN(C1C(=O)O)CC(C(=S)NCC(=O)O)N |
| SMILES (Isomeric) | C1CC(=O)CN(C1C(=O)O)CC(C(=S)NCC(=O)O)N |
| InChI | InChI=1S/C11H17N3O5S/c12-7(10(20)13-3-9(16)17)5-14-4-6(15)1-2-8(14)11(18)19/h7-8H,1-5,12H2,(H,13,20)(H,16,17)(H,18,19) |
| InChI Key | AWUZUPCVMWGRIB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H17N3O5S |
| Molecular Weight | 303.34 g/mol |
| Exact Mass | 303.08889182 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | -6.10 |
| There are no found synonyms. |
![2D Structure of 1-[2-Amino-3-(carboxymethylamino)-3-sulfanylidenepropyl]-5-oxopiperidine-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/1-2-amino-3-carboxymethylamino-3-sulfanylidenepropyl-5-oxopiperidine-2-carboxylic-acid.jpg "2D Structure of 1-[2-Amino-3-(carboxymethylamino)-3-sulfanylidenepropyl]-5-oxopiperidine-2-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.35% | 83.82% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 97.71% | 96.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.79% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.76% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.60% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.36% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.39% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.60% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.39% | 91.19% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 86.66% | 88.81% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.40% | 90.71% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 82.41% | 80.71% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.93% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.58% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.37% | 99.17% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 80.29% | 96.67% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 80.17% | 89.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.15% | 94.33% |
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.
| Cycas revoluta |
| PubChem | 162942160 |
| LOTUS | LTS0046694 |
| wikiData | Q104920302 |