(6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
| Internal ID | 1aa682f2-df79-431e-bda4-e73780c5e48a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl thioesters > Acyl CoAs > Very long-chain fatty acyl CoAs |
| IUPAC Name | S-[2-[3-[[(2R)-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]ethyl] (6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenethioate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4-7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40+,44-/m1/s1 |
| InChI Key | XZYNVQDKYRHKFG-QOJZHLSOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H72N7O17P3S |
| Molecular Weight | 1108.10 g/mol |
| Exact Mass | 1107.39182602 g/mol |
| Topological Polar Surface Area (TPSA) | 389.00 Ų |
| XlogP | 2.30 |
| all-cis-6,9,12,15,18-tetracosapentaenoyl-CoA |
| 24:5(n-6) |
| CHEBI:63546 |
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate} |
| 3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-((2-(((6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)butyl) dihydrogen diphosphate) |
| S-(2-(3-(((2R)-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)ethyl) (6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenethioate |
| S-[2-[3-[[(2R)-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]ethyl] (6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenethioate |
| (6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoyl-CoA |
| RefChem:69727 |
| SCHEMBL29472026 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.38% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.17% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.68% | 98.95% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 98.20% | 80.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 98.15% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 97.08% | 99.23% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.02% | 97.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.96% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.68% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.62% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.58% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.53% | 91.11% |
| CHEMBL3891 | P07384 | Calpain 1 | 91.33% | 93.04% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.08% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 90.38% | 96.90% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.38% | 92.86% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.10% | 93.10% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.83% | 94.33% |
| CHEMBL1881 | P43116 | Prostanoid EP2 receptor | 86.11% | 93.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.95% | 92.50% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.88% | 97.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.72% | 92.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.83% | 93.56% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.68% | 82.50% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.57% | 95.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.49% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.37% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.12% | 96.47% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.01% | 91.03% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.18% | 98.33% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 81.08% | 88.84% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.91% | 95.00% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 80.23% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.00% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 56927911 |
| LOTUS | LTS0218011 |
| wikiData | Q27132682 |