(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
| Internal ID | 43c4e902-ca06-4dd5-9596-7c0f812b6548 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H27N4O7P/c1-7(12(20)18-9(3)14(22)23)16-11(19)8(2)17-13(21)10(15)5-6-26(4,24)25/h7-10H,5-6,15H2,1-4H3,(H,16,19)(H,17,21)(H,18,20)(H,22,23)(H,24,25)/t7-,8-,9-,10-/m0/s1 |
| InChI Key | LHYVYCQNULXZNE-XKNYDFJKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H27N4O7P |
| Molecular Weight | 394.36 g/mol |
| Exact Mass | 394.16173621 g/mol |
| Topological Polar Surface Area (TPSA) | 188.00 Ų |
| XlogP | -5.10 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/h-abuunk-ala-ala-ala-oh.jpg "2D Structure of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic 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 | 99.55% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.21% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.69% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 93.09% | 99.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.94% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.03% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.73% | 97.29% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 91.13% | 92.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.73% | 89.63% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.48% | 95.17% |
| CHEMBL3308 | P55212 | Caspase-6 | 90.41% | 97.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.65% | 90.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.70% | 89.50% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.39% | 97.23% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.34% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.83% | 96.47% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.42% | 92.86% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.66% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.53% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.52% | 91.19% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 80.94% | 94.01% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 80.28% | 87.67% |
| CHEMBL3776 | Q14790 | Caspase-8 | 80.19% | 97.06% |
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 | 101606466 |
| LOTUS | LTS0064704 |
| wikiData | Q105152061 |