(E)-4-[[(1S)-1-carboxyethyl]amino]-4-oxobut-2-enoic acid
| Internal ID | 5a95d31b-185b-48e3-a089-f6a21099d218 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids > N-acyl-L-alpha-amino acids |
| IUPAC Name | (E)-4-[[(1S)-1-carboxyethyl]amino]-4-oxobut-2-enoic acid |
| SMILES (Canonical) | CC(C(=O)O)NC(=O)C=CC(=O)O |
| SMILES (Isomeric) | C[C@@H](C(=O)O)NC(=O)/C=C/C(=O)O |
| InChI | InChI=1S/C7H9NO5/c1-4(7(12)13)8-5(9)2-3-6(10)11/h2-4H,1H3,(H,8,9)(H,10,11)(H,12,13)/b3-2+/t4-/m0/s1 |
| InChI Key | GNLCKFJPWPKISM-ZPYNKGFJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C7H9NO5 |
| Molecular Weight | 187.15 g/mol |
| Exact Mass | 187.04807239 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of (E)-4-[[(1S)-1-carboxyethyl]amino]-4-oxobut-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/e-4-1s-1-carboxyethylamino-4-oxobut-2-enoic-acid.jpg "2D Structure of (E)-4-[[(1S)-1-carboxyethyl]amino]-4-oxobut-2-enoic 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 | 97.10% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.97% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.73% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.78% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.80% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.48% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.12% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.88% | 99.17% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 80.57% | 98.33% |
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.
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| There are no matching plants. |
| PubChem | 12010747 |
| LOTUS | LTS0212849 |
| wikiData | Q105012699 |