Allantoic acid
| Internal ID | bd5e6b58-a4e8-4d9a-8a0c-819077f27847 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-carbamoyl-alpha amino acids and derivatives > N-carbamoyl-alpha amino acids |
| IUPAC Name | 2,2-bis(carbamoylamino)acetic acid |
| SMILES (Canonical) | C(C(=O)O)(NC(=O)N)NC(=O)N |
| SMILES (Isomeric) | C(C(=O)O)(NC(=O)N)NC(=O)N |
| InChI | InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) |
| InChI Key | NUCLJNSWZCHRKL-UHFFFAOYSA-N |
| Popularity | 501 references in papers |
| Molecular Formula | C4H8N4O4 |
| Molecular Weight | 176.13 g/mol |
| Exact Mass | 176.05455475 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | -2.60 |
| 99-16-1 |
| Diureidoacetic acid |
| Acetic acid, bis[(aminocarbonyl)amino]- |
| 2,2-bis(carbamoylamino)acetic acid |
| Allantoicacid |
| Diureidoacetic acid |
| 2,2-diureidoacetic acid |
| 02WGT7SHWJ |
| 102185-22-8 |
| Bis((aminocarbonyl)amino)acetic acid |
| 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 | 94.22% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.33% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.16% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.06% | 100.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.31% | 90.20% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.61% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.61% | 99.17% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 80.08% | 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.
To see more specific details click the taxa you are interested in.
| Albertisia delagoensis |
| Arabidopsis thaliana |
| Ilex paraguariensis |
| PubChem | 203 |
| LOTUS | LTS0078832 |
| wikiData | Q1067123 |