(2R)-2-acetamido-3-[(Z)-N-hydroxy-C-(phosphonomethyl)carbonimidoyl]sulfanylpropanoic acid
| Internal ID | b459e1e1-7dd7-4f7a-bcc4-d6d67c8055b1 |
| Taxonomy | Organic acids and derivatives > Thiohydroximic acids and derivatives > Thiohydroximic acids > S-alkyl-thiohydroximates |
| IUPAC Name | (2R)-2-acetamido-3-[(Z)-N-hydroxy-C-(phosphonomethyl)carbonimidoyl]sulfanylpropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C7H13N2O7PS/c1-4(10)8-5(7(11)12)3-18-6(9-13)2-17(14,15)16/h5,13H,2-3H2,1H3,(H,8,10)(H,11,12)(H2,14,15,16)/b9-6-/t5-/m0/s1 |
| InChI Key | NVJITVZXLOOVCD-ICPXLOEFSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C7H13N2O7PS |
| Molecular Weight | 300.23 g/mol |
| Exact Mass | 300.01810893 g/mol |
| Topological Polar Surface Area (TPSA) | 182.00 Ų |
| XlogP | -1.90 |
| There are no found synonyms. |
![2D Structure of (2R)-2-acetamido-3-[(Z)-N-hydroxy-C-(phosphonomethyl)carbonimidoyl]sulfanylpropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-acetamido-3-z-n-hydroxy-c-phosphonomethylcarbonimidoylsulfanylpropanoic-acid.jpg "2D Structure of (2R)-2-acetamido-3-[(Z)-N-hydroxy-C-(phosphonomethyl)carbonimidoyl]sulfanylpropanoic 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 |
|---|---|---|---|---|
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 94.26% | 87.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.94% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.61% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.41% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.87% | 99.17% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.76% | 81.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.78% | 93.56% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.61% | 95.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.74% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.54% | 91.19% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.35% | 90.20% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.08% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.82% | 93.10% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.32% | 92.29% |
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.
| There are no matching plants. |
| PubChem | 130231394 |
| LOTUS | LTS0218291 |
| wikiData | Q105137184 |