产品名称：
(2E,11Z,17Z)-14R-hydroxy-icosa-11,17-trienoyl-CoA
其他名称： (2E,11Z,17Z)-14R-hydroxy-icosa-11,17-trienoyl-CoA
其他名称： (2E,11Z,17Z)-14R-hydroxy-icosa-11,17-trienoyl-CoA
结构信息
| 分子式 | C41H64N7O18P3S-4 | 分子量 | 1068 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-[(2E,11Z,14R,17Z)-14-hydroxyicosa-2,11,17-trienoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | GCCBKKQIEMQVGW-PKAYEDJNSA-J | ||||
| InChI | InChI=1S/C41H68N7O18P3S/c1-4-5-6-15-18-29(49)19-16-13-11-9-7-8-10-12-14-17-20-32(51)70-24-23-43-31(50)21-22-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h5-6,13,16-17,20,27-30,34-36,40,49,52-53H,4,7-12,14-15,18-19,21-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b6-5-,16-13-,20-17+/t29-,30-,34-,35-,36+,40-/m1/s1 | ||||
| SMILES | CCC=CCCC(CC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)O | ||||
