Iminoaspartic acid
| Internal ID | f7ffa65c-3f7c-4600-8af1-4da6bdd9df18 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | 2-iminobutanedioic acid |
| SMILES (Canonical) | C(C(=N)C(=O)O)C(=O)O |
| SMILES (Isomeric) | C(C(=N)C(=O)O)C(=O)O |
| InChI | InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h5H,1H2,(H,6,7)(H,8,9) |
| InChI Key | NMUOATVLLQEYHI-UHFFFAOYSA-N |
| Popularity | 24 references in papers |
| Molecular Formula | C4H5NO4 |
| Molecular Weight | 131.09 g/mol |
| Exact Mass | 131.02185764 g/mol |
| Topological Polar Surface Area (TPSA) | 98.40 Ų |
| XlogP | -0.50 |
| iminoaspartate |
| 2-iminobutanedioic acid |
| iminosuccinate |
| 79067-61-1 |
| iminosuccinic acid |
| QHW8YF5XND |
| 2-imino-butanedioic acid |
| Butanedioic acid, imino- |
| alpha-iminosuccinate |
| imino-Butanedioate |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.07% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.76% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.90% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.78% | 83.82% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.72% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.21% | 99.17% |
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.
| Nicotiana tabacum |
| PubChem | 796 |
| LOTUS | LTS0199405 |
| wikiData | Q18351121 |