产品名称：
R-Ibuprofenoyl CoA
其他名称： R-Ibuprofenoyl CoA；CID9854504; (Acyl-CoA); [M+H]+;
其他名称： R-Ibuprofenoyl CoA；CID9854504; (Acyl-CoA); [M+H]+;
结构信息
| 分子式 | C34H52N7O17P3S | 分子量 | 955.8 | ||
| 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] (2R)-2-[4-(2-methylpropyl)phenyl]propanethioate | ||||
| InChIKey | ZWOQHSZKILPKKA-ZNXIXYPCSA-N | ||||
| InChI | InChI=1S/C34H52N7O17P3S/c1-19(2)14-21-6-8-22(9-7-21)20(3)33(46)62-13-12-36-24(42)10-11-37-31(45)28(44)34(4,5)16-55-61(52,53)58-60(50,51)54-15-23-27(57-59(47,48)49)26(43)32(56-23)41-18-40-25-29(35)38-17-39-30(25)41/h6-9,17-20,23,26-28,32,43-44H,10-16H2,1-5H3,(H,36,42)(H,37,45)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t20-,23-,26-,27-,28?,32-/m1/s1 | ||||
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)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 | ||||
