产品名称:
10,16-dihydroxypalmitoyl-CoA
其他名称: 10,16-dihydroxypalmitoyl-CoA
其他名称: 10,16-dihydroxypalmitoyl-CoA
结构信息
分子式 | C37H62N7O19P3S-4 | 分子量 | 1033.9 | ||
IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-(10,16-dihydroxyhexadecanoylsulfanyl)ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate | ||||
InChIKey | TVGWWABLGLVNFY-QTFKDKGUSA-J | ||||
InChI | InChI=1S/C37H66N7O19P3S/c1-37(2,32(50)35(51)40-17-16-27(47)39-18-20-67-28(48)15-11-6-4-3-5-9-13-25(46)14-10-7-8-12-19-45)22-60-66(57,58)63-65(55,56)59-21-26-31(62-64(52,53)54)30(49)36(61-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45-46,49-50H,3-22H2,1-2H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/p-4/t25?,26-,30-,31-,32+,36-/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)CCCCCCCCC(CCCCCCO)O)O |