Methyl-D-erythritol Phosphate
| Internal ID | 252cabf0-9550-4b69-9646-486de38a8603 |
| Taxonomy | Organic acids and derivatives > Organic phosphoric acids and derivatives > Phosphate esters > Alkyl phosphates > Monoalkyl phosphates |
| IUPAC Name | [(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] dihydrogen phosphate |
| SMILES (Canonical) | CC(CO)(C(COP(=O)(O)O)O)O |
| SMILES (Isomeric) | C[C@](CO)([C@@H](COP(=O)(O)O)O)O |
| InChI | InChI=1S/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/t4-,5+/m1/s1 |
| InChI Key | XMWHRVNVKDKBRG-UHNVWZDZSA-N |
| Popularity | 346 references in papers |
| Molecular Formula | C5H13O7P |
| Molecular Weight | 216.13 g/mol |
| Exact Mass | 216.03988975 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | -3.30 |
| 206440-72-4 |
| 2-C-Methyl-D-erythritol 4-phosphate |
| [(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] dihydrogen phosphate |
| 2-C-Methylerythritol 4-phosphate |
| 1,2,3,4-Butanetetrol, 2-methyl-, 4-(dihydrogen phosphate), (2S,3R)- |
| 2-C-methyl-D-erythritol 4-(dihydrogen phosphate) |
| (2R,3S)-2,3,4-trihydroxy-3-methylbutyl dihydrogen phosphate |
| CHEBI:17764 |
| SCHEMBL345740 |
| DTXSID90332064 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.97% | 97.29% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.71% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.80% | 96.09% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 94.39% | 94.01% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.55% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.49% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.33% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.78% | 85.14% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.56% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.61% | 92.86% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.38% | 93.31% |
| CHEMBL4333 | P21453 | Sphingosine 1-phosphate receptor Edg-1 | 84.63% | 96.99% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.91% | 86.92% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.77% | 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.
| Arabidopsis thaliana |
| Solanum lycopersicum |
| PubChem | 443198 |
| LOTUS | LTS0095389 |
| wikiData | Q2709086 |