3-[[[(Carboxycarbonyl)amino]carbonyl]amino]-L-alanine
| Internal ID | 332b077e-87d2-4afe-b832-9ac9bc3c99a3 |
| 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)-2-amino-3-(oxalocarbamoylamino)propanoic acid |
| SMILES (Canonical) | C(C(C(=O)O)N)NC(=O)NC(=O)C(=O)O |
| SMILES (Isomeric) | C([C@@H](C(=O)O)N)NC(=O)NC(=O)C(=O)O |
| InChI | InChI=1S/C6H9N3O6/c7-2(4(11)12)1-8-6(15)9-3(10)5(13)14/h2H,1,7H2,(H,11,12)(H,13,14)(H2,8,9,10,15)/t2-/m0/s1 |
| InChI Key | WLHZKQYVDKRZKW-REOHCLBHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C6H9N3O6 |
| Molecular Weight | 219.15 g/mol |
| Exact Mass | 219.04913502 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | -3.90 |
| DTXSID801212101 |
| 3-[[[(Carboxycarbonyl)amino]carbonyl]amino]-L-alanine |
| (S)-2-Amino-3-(3-(carboxycarbonyl)ureido)propanoic acid |
![2D Structure of 3-[[[(Carboxycarbonyl)amino]carbonyl]amino]-L-alanine](https://plantaedb.com/storage/docs/compounds/2023/11/3-carboxycarbonylaminocarbonylamino-l-alanine.jpg "2D Structure of 3-[[[(Carboxycarbonyl)amino]carbonyl]amino]-L-alanine")
| 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% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 96.83% | 92.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.44% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.42% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.31% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.84% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.16% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.18% | 90.00% |
| CHEMBL1795117 | Q8TEK3 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 83.77% | 93.56% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.22% | 94.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.15% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.03% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.84% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.69% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.70% | 94.73% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.00% | 100.00% |
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.
| Acaciella angustissima |
| PubChem | 14632982 |
| LOTUS | LTS0126333 |
| wikiData | Q105307970 |