ethylmalonyl-CoA
| Internal ID | ff7a0ab5-2118-406d-8597-386ed2a19a18 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl thioesters > Acyl CoAs |
| IUPAC Name | 2-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]butanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13?,14-,17-,18-,19?,23-/m1/s1 |
| InChI Key | VUGZQVCBBBEZQE-VRQRJWBYSA-N |
| Popularity | 55 references in papers |
| Molecular Formula | C26H42N7O19P3S |
| Molecular Weight | 881.60 g/mol |
| Exact Mass | 881.14690430 g/mol |
| Topological Polar Surface Area (TPSA) | 426.00 Ų |
| XlogP | -5.00 |
| CHEBI:81456 |
| ethylmalonyl-CoA; (Acyl-CoA); [M+H]+; |
| Q27155386 |
| 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 | 99.46% | 96.09% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 97.94% | 80.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.10% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 96.31% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.20% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.46% | 90.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.00% | 89.34% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 92.83% | 95.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.69% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.04% | 96.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.86% | 93.10% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.70% | 96.90% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.04% | 97.29% |
| CHEMBL1881 | P43116 | Prostanoid EP2 receptor | 86.85% | 93.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.23% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.31% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.22% | 89.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.21% | 82.50% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 81.37% | 100.00% |
| CHEMBL3663 | P62993 | Growth factor receptor-bound protein 2 | 80.84% | 90.00% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 80.78% | 95.39% |
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.
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| There are no matching plants. |
| PubChem | 46174035 |
| LOTUS | LTS0070546 |
| wikiData | Q27155386 |