Chemical Component Summary | |
|---|---|
| Name | DODECYL-COA |
| Identifiers | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] dodecanethioate |
| Formula | C33 H58 N7 O17 P3 S |
| Molecular Weight | 949.837 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O |
| InChI | InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28+,32-/m1/s1 |
| InChIKey | YMCXGHLSVALICC-GMHMEAMDSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 119 |
| Chiral Atom Count | 7 |
| Bond Count | 121 |
| Aromatic Bond Count | 10 |
Drug Info: DrugBank
| DrugBank ID | DB03264? |
|---|---|
| Name | Dodecyl-Coa |
| Groups | experimental |
| Synonyms | Dodecyl-Coa |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| 3-oxoacyl-[acyl-carrier-protein] synthase 3 | MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIK... | unknown | |
| Fatty acid metabolism regulator protein | MKQKRPKYMQIIDAAVEVIAENGYHQSQVSKIAKQAGVADGTIYLYFKNK... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 165436 |
| ChEBI | CHEBI:15521 |
