N-carbamoyl-L-aspartate
Internal ID | f3a81a84-c83c-4d6c-8739-ab0ab9c494e3 |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Aspartic acid and derivatives |
IUPAC Name | (2S)-2-(carbamoylamino)butanedioic acid |
SMILES (Canonical) | C(C(C(=O)O)NC(=O)N)C(=O)O |
SMILES (Isomeric) | C([C@@H](C(=O)O)NC(=O)N)C(=O)O |
InChI | InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1 |
InChI Key | HLKXYZVTANABHZ-REOHCLBHSA-N |
Popularity | 138 references in papers |
Molecular Formula | C5H8N2O5 |
Molecular Weight | 176.13 g/mol |
Exact Mass | 176.04332136 g/mol |
Topological Polar Surface Area (TPSA) | 130.00 Ų |
XlogP | -1.90 |
N-Carbamoyl-L-aspartic acid |
13184-27-5 |
N-Carbamoylaspartic acid |
L-Ureidosuccinic acid |
Ureidosuccinate |
Carbamoylaspartic acid |
N-Carbamoyl-S-aspartic acid |
Carbamyl-L-aspartic acid |
L-N-Carbamoylaspartic acid |
L-Ureidosuccinate |
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 |
---|---|---|---|---|
CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.75% | 83.82% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.25% | 90.17% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 92.06% | 90.20% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.29% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.83% | 99.17% |
CHEMBL3776 | Q14790 | Caspase-8 | 88.35% | 97.06% |
CHEMBL2581 | P07339 | Cathepsin D | 87.67% | 98.95% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.52% | 100.00% |
CHEMBL209 | P07477 | Trypsin I | 82.58% | 90.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.66% | 91.11% |
CHEMBL2334 | P42574 | Caspase-3 | 80.57% | 98.25% |
CHEMBL4801 | P29466 | Caspase-1 | 80.44% | 96.85% |
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.
Arabidopsis thaliana |
PubChem | 93072 |
LOTUS | LTS0148800 |
wikiData | Q55177068 |