[3-Amino-4-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-hydroxy-oxophosphanium
| Internal ID | dd3b4c6c-0c8f-4ab8-93d5-8fef28b604f1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | [3-amino-4-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-hydroxy-oxophosphanium |
| SMILES (Canonical) | CC(C(=O)NC(C)C(=O)O)NC(=O)C(CC[P+](=O)O)N |
| SMILES (Isomeric) | CC(C(=O)NC(C)C(=O)O)NC(=O)C(CC[P+](=O)O)N |
| InChI | InChI=1S/C10H18N3O6P/c1-5(8(14)13-6(2)10(16)17)12-9(15)7(11)3-4-20(18)19/h5-7H,3-4,11H2,1-2H3,(H3-,12,13,14,15,16,17,18,19)/p+1 |
| InChI Key | TTZMSSHMHCSAMS-UHFFFAOYSA-O |
| Popularity | 0 references in papers |
| Molecular Formula | C10H19N3O6P+ |
| Molecular Weight | 308.25 g/mol |
| Exact Mass | 308.10114733 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | -5.70 |
| There are no found synonyms. |
![2D Structure of [3-Amino-4-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-hydroxy-oxophosphanium](https://plantaedb.com/storage/docs/compounds/2023/11/3-amino-4-1-1-carboxyethylamino-1-oxopropan-2-ylamino-4-oxobutyl-hydroxy-oxophosphanium.jpg "2D Structure of [3-Amino-4-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-hydroxy-oxophosphanium")
| 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 | 99.57% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.42% | 96.09% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 94.20% | 92.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.05% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.60% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.40% | 93.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 90.77% | 99.35% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.66% | 90.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.37% | 89.63% |
| CHEMBL3308 | P55212 | Caspase-6 | 87.48% | 97.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.22% | 99.17% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.15% | 97.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.36% | 96.47% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.08% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.61% | 96.95% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 83.36% | 96.03% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.24% | 89.50% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 82.23% | 98.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.99% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.23% | 94.33% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.06% | 97.93% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 13366417 |
| LOTUS | LTS0088745 |
| wikiData | Q105264589 |