产品名称:
(3S,11Z)-3-hydroxyhexadec-11-enoyl-CoA
其他名称: (3S,11Z)-3-hydroxyhexadec-11-enoyl-CoA
其他名称: (3S,11Z)-3-hydroxyhexadec-11-enoyl-CoA
结构信息
分子式 | C37H60N7O18P3S-4 | 分子量 | 1015.9 | ||
IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-[(Z,3S)-3-hydroxyhexadec-11-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
InChIKey | SHGDVNGLFXVIAK-BFVORPHASA-J | ||||
InChI | InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h7-8,23-26,30-32,36,45,48-49H,4-6,9-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b8-7-/t25-,26+,30+,31+,32-,36+/m0/s1 | ||||
SMILES | CCCCC=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 |