[(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexoxy]phosphonic acid
| Internal ID | bff27095-4390-4919-bbaf-3b972e510c65 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Monosaccharide phosphates |
| IUPAC Name | [(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl] dihydrogen phosphate |
| SMILES (Canonical) | CC(=O)NC(C=O)C(C(C(COP(=O)(O)O)O)O)O |
| SMILES (Isomeric) | CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O |
| InChI | InChI=1S/C8H16NO9P/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h2,5-8,12-14H,3H2,1H3,(H,9,11)(H2,15,16,17)/t5-,6+,7+,8+/m0/s1 |
| InChI Key | QDSLHWJDSQGPEE-LXGUWJNJSA-N |
| Popularity | 40 references in papers |
| Molecular Formula | C8H16NO9P |
| Molecular Weight | 301.19 g/mol |
| Exact Mass | 301.05626809 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | -4.50 |
| [(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexoxy]phosphonic acid |
| RFW |
| SCHEMBL132062 |
| DTXSID60938532 |
| NS00124627 |
| 2-Deoxy-2-[(1-hydroxyethylidene)amino]-6-O-phosphonohexose |
| 2-Deoxy-2-[(1-hydroxyethylidene)amino]-6-O-phosphono-D-glucose |
| (2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl dihydrogen phosphate |
![2D Structure of [(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexoxy]phosphonic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2r3s4r5r-5-acetamido-234-trihydroxy-6-oxo-hexoxyphosphonic-acid.jpg "2D Structure of [(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexoxy]phosphonic 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.37% | 97.29% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.84% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.98% | 96.09% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 89.29% | 94.01% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.33% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.85% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.56% | 89.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.83% | 94.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.44% | 89.34% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.85% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.62% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.13% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.70% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.50% | 96.00% |
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.
| There are no matching plants. |
| PubChem | 150941 |
| LOTUS | LTS0044777 |
| wikiData | Q82914860 |