产品名称：
(9Z,12Z)-18-hydroxyoctadecadienoyl-CoA(4-)
其他名称： (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA(4-)；18-hydroxylinoleoyl-CoA；omega-hydroxylinoleoyl-CoA；CHEBI:84904；(9Z,12Z)-18-hydroxyoctadecadienoyl-coenzyme A(4-)；Q27158168
其他名称： (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA(4-)；18-hydroxylinoleoyl-CoA；omega-hydroxylinoleoyl-CoA；CHEBI:84904；(9Z,12Z)-18-hydroxyoctadecadienoyl-coenzyme A(4-)；Q27158168
结构信息
| 分子式 | C39H62N7O18P3S-4 | 分子量 | 1041.9 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-[(9Z,12Z)-18-hydroxyoctadeca-9,12-dienoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | HJEGYLSHIKPENR-DAXVLCLXSA-J | ||||
| InChI | InChI=1S/C39H66N7O18P3S/c1-39(2,34(51)37(52)42-20-19-29(48)41-21-23-68-30(49)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-47)25-61-67(58,59)64-66(56,57)60-24-28-33(63-65(53,54)55)32(50)38(62-28)46-27-45-31-35(40)43-26-44-36(31)46/h3-4,7,9,26-28,32-34,38,47,50-51H,5-6,8,10-25H2,1-2H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b4-3-,9-7-/t28-,32-,33-,34+,38-/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)CCCCCCCC=CCC=CCCCCCO)O | ||||
