3-Formylbutyl diphosphate
| Internal ID | 98e59cf6-07ac-4cd3-aee3-3ede7e05d95e |
| Taxonomy | Organic oxygen compounds > Organic oxoanionic compounds > Organic pyrophosphates |
| IUPAC Name | (3-methyl-4-oxobutyl) phosphono hydrogen phosphate |
| SMILES (Canonical) | CC(CCOP(=O)(O)OP(=O)(O)O)C=O |
| SMILES (Isomeric) | CC(CCOP(=O)(O)OP(=O)(O)O)C=O |
| InChI | InChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h4-5H,2-3H2,1H3,(H,10,11)(H2,7,8,9) |
| InChI Key | KIJIIIDYDGXWFJ-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C5H12O8P2 |
| Molecular Weight | 262.09 g/mol |
| Exact Mass | 262.00074133 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | -2.30 |
| 3-formylbutyl diphosphate |
| CHEBI:59398 |
| 3-methyl-4-oxobutyl trihydrogen diphosphate |
| Epitope ID:140427 |
| SCHEMBL968594 |
| 3-formyl-1-butyl pyrophosphate |
| (3-methyl-4-oxobutyl) phosphono hydrogen phosphate |
| Q27126678 |
| 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 | 95.88% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.55% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.83% | 89.34% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 89.15% | 94.01% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.93% | 98.95% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.96% | 83.57% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.88% | 93.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.78% | 94.73% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.45% | 87.67% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.15% | 87.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.77% | 95.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.39% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.62% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.39% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.37% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.19% | 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 | 9921431 |
| LOTUS | LTS0073121 |
| wikiData | Q27126678 |