(2S)-5-amino-2-[[(3R)-15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]pentanoic acid
| Internal ID | 8aa3f8e7-e630-41ff-b9bb-cc1e87e11814 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids |
| IUPAC Name | (2S)-5-amino-2-[[(3R)-15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]pentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H72N2O5/c1-31(2)24-19-15-11-7-5-9-13-17-21-26-33(30-35(40)39-34(37(42)43)27-23-29-38)44-36(41)28-22-18-14-10-6-8-12-16-20-25-32(3)4/h31-34H,5-30,38H2,1-4H3,(H,39,40)(H,42,43)/t33-,34+/m1/s1 |
| InChI Key | PUZMSNPCMYUOTE-NOCHOARKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H72N2O5 |
| Molecular Weight | 625.00 g/mol |
| Exact Mass | 624.54412340 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 10.00 |
| There are no found synonyms. |
![2D Structure of (2S)-5-amino-2-[[(3R)-15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]pentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-5-amino-2-3r-15-methyl-3-13-methyltetradecanoyloxyhexadecanoylaminopentanoic-acid.jpg "2D Structure of (2S)-5-amino-2-[[(3R)-15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]pentanoic 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.48% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.62% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.95% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.09% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.81% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.60% | 97.21% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.97% | 90.20% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.58% | 95.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.44% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.01% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.01% | 96.00% |
| CHEMBL2973 | O75116 | Rho-associated protein kinase 2 | 89.75% | 96.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.94% | 97.29% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.23% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.41% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.38% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.11% | 90.71% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.52% | 97.23% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.30% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.93% | 94.45% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 84.66% | 95.55% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.56% | 93.18% |
| CHEMBL3776 | Q14790 | Caspase-8 | 82.74% | 97.06% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.73% | 87.45% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.58% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.06% | 99.35% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.96% | 92.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.94% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.58% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.47% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.33% | 93.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.24% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162989248 |
| LOTUS | LTS0080322 |
| wikiData | Q105215356 |