Chemical Component Summary | |
---|---|
Name | 2-oxopentadecyl-CoA |
Identifiers | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylidenepentadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate |
Formula | C36 H64 N7 O17 P3 S |
Molecular Weight | 991.916 |
Type | NON-POLYMER |
Isomeric SMILES | CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O |
InChI | InChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(44)21-64-19-18-38-27(45)16-17-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-20-26-30(59-61(49,50)51)29(46)35(58-26)43-24-42-28-32(37)40-23-41-33(28)43/h23-24,26,29-31,35,46-47H,4-22H2,1-3H3,(H,38,45)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/t26-,29-,30-,31+,35-/m1/s1 |
InChIKey | JKWHUJMJVNMKEF-UOCZADIYSA-J |
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 128 |
Chiral Atom Count | 5 |
Bond Count | 130 |
Aromatic Bond Count | 10 |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 44472880 |