2-Amino-3-[(2-butanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
| Internal ID | 197506c2-566a-465b-8b0c-dc6ca646f4ea |
| Taxonomy | Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphoserines > Phosphatidylserines |
| IUPAC Name | 2-amino-3-[(2-butanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid |
| SMILES (Canonical) | CCCC(=O)OC(COC(=O)CC)COP(=O)(O)OCC(C(=O)O)N |
| SMILES (Isomeric) | CCCC(=O)OC(COC(=O)CC)COP(=O)(O)OCC(C(=O)O)N |
| InChI | InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20) |
| InChI Key | UNJJBGNPUUVVFQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H24NO10P |
| Molecular Weight | 385.30 g/mol |
| Exact Mass | 385.11378296 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | -3.50 |
| There are no found synonyms. |
![2D Structure of 2-Amino-3-[(2-butanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-amino-3-2-butanoyloxy-3-propanoyloxypropoxy-hydroxyphosphoryloxypropanoic-acid.jpg "2D Structure of 2-Amino-3-[(2-butanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic 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 | 97.97% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.35% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 97.28% | 95.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.47% | 90.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.13% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.85% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.38% | 96.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.77% | 93.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.10% | 98.95% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 85.09% | 94.01% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.14% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.98% | 94.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.61% | 92.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.91% | 92.29% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.41% | 100.00% |
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.
| Aloe vera |
| Helianthus annuus |
| Portulaca oleracea |
| Ruta graveolens |
| PubChem | 74934166 |
| LOTUS | LTS0082229 |
| wikiData | Q104252306 |