产品名称:
(R)-S-(2-tetradecyloxiranecarboxylate)-CoA
其他名称: (R)-S-(2-tetradecyloxiranecarboxylate)-Coenzyme A
CAS:92142-38-6
其他名称: (R)-S-(2-tetradecyloxiranecarboxylate)-Coenzyme A
CAS:92142-38-6
结构信息
分子式 | C38H66N7O18P3S | 分子量 | 1033.95 | ||
IUPAC Name | S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-tetradecyloxirane-2-carbothioate | ||||
InChIKey | LJTIPAOHBLCAGI-HWXGPAGYSA-N | ||||
InChI | InChI=1S/C38H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25-31(60-25)37(50)67-20-19-40-27(46)17-18-41-35(49)32(48)38(2,3)22-59-66(56,57)63-65(54,55)58-21-26-30(62-64(51,52)53)29(47)36(61-26)45-24-44-28-33(39)42-23-43-34(28)45/h23-26,29-32,36,47-48H,4-22H2,1-3H3,(H,40,46)(H,41,49)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t25?,26-,29-,30-,31?,32?,36-/m1/s1 | ||||
SMILES | CCCCCCCCCCCCCCC1C(O1)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O |