(3R,4S,5S)-4,5-dihydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
| Internal ID | 35f3ba2a-1480-4b5d-95db-a4617918b28f |
| Taxonomy | Organic acids and derivatives > Organic phosphoric acids and derivatives > Phosphate esters > Alkyl phosphates > Monoalkyl phosphates |
| IUPAC Name | (3R,4S,5S)-4,5-dihydroxy-3-phosphonooxycyclohexene-1-carboxylic acid |
| SMILES (Canonical) | C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)O |
| SMILES (Isomeric) | C1[C@@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O |
| InChI | InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5+,6-/m0/s1 |
| InChI Key | QYOJSKGCWNAKGW-JKUQZMGJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C7H11O8P |
| Molecular Weight | 254.13 g/mol |
| Exact Mass | 254.01915430 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | -2.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.21% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.63% | 93.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.43% | 87.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.94% | 95.56% |
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.
| Sorghum bicolor |
| PubChem | 92209547 |
| LOTUS | LTS0129257 |
| wikiData | Q105230294 |