产品名称：
4-iodobenzoyl-CoA
其他名称： 4-iodobenzoyl-CoA；p-iodobenzoyl-CoA(4-)；4-iodobenzoyl-CoA(4-)；CHEBI:188477
其他名称： 4-iodobenzoyl-CoA；p-iodobenzoyl-CoA(4-)；4-iodobenzoyl-CoA(4-)；CHEBI:188477
结构信息
| 分子式 | C28H35IN7O17P3S-4 | 分子量 | 993.5 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-(4-iodobenzoyl)sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | AVVQLFMXWCHRDZ-TYHXJLICSA-J | ||||
| InChI | InChI=1S/C28H39IN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-3-5-16(29)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t17-,20-,21-,22+,26-/m1/s1 | ||||
| SMILES | CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C4=CC=C(C=C4)I)O | ||||
