gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine
| Internal ID | ddbb467c-41a2-4e2d-aa96-123b9a70a305 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-amino-5-[[1-carboxy-2-(5-oxo-1,2-oxazol-2-yl)ethyl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | C1=CN(OC1=O)CC(C(=O)O)NC(=O)CCC(C(=O)O)N |
| SMILES (Isomeric) | C1=CN(OC1=O)CC(C(=O)O)NC(=O)CCC(C(=O)O)N |
| InChI | InChI=1S/C11H15N3O7/c12-6(10(17)18)1-2-8(15)13-7(11(19)20)5-14-4-3-9(16)21-14/h3-4,6-7H,1-2,5,12H2,(H,13,15)(H,17,18)(H,19,20) |
| InChI Key | XXZPYJHULCBZPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H15N3O7 |
| Molecular Weight | 301.25 g/mol |
| Exact Mass | 301.09099983 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | -3.90 |
| CHEBI:169086 |
| g-Glutamyl-b-(isoxazolin-5-on-2-yl)alanine |
| 2-amino-5-[[1-carboxy-2-(5-oxo-1,2-oxazol-2-yl)ethyl]amino]-5-oxopentanoic 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 | 99.80% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.07% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.03% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.98% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.62% | 90.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.46% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.88% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.36% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.92% | 90.20% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.28% | 92.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.16% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.45% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.42% | 95.56% |
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.
| Lathyrus sativus |
| PubChem | 131752843 |
| LOTUS | LTS0157683 |
| wikiData | Q105344373 |