产品名称：
Ifa-CoA
其他名称： Coenzyme A, ifa-;Ifa-coa
CAS：125108-87-4
其他名称： Coenzyme A, ifa-;Ifa-coa
CAS：125108-87-4
结构信息
| 分子式 | C40H61IN11O19P3S | 分子量 | 1249.87 | ||
| IUPAC Name | S-[2-[3-[[(2R)-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] 12-[(4-azido-2-hydroxy-5-(125I)iodanylbenzoyl)amino]dodecanethioate | ||||
| InChIKey | VLPXLFGMSPVZHP-ZYPIRDQASA-N | ||||
| InChI | InChI=1S/C40H61IN11O19P3S/c1-40(2,21-68-74(65,66)71-73(63,64)67-20-28-33(70-72(60,61)62)32(56)39(69-28)52-23-49-31-35(42)47-22-48-36(31)52)34(57)38(59)46-15-13-29(54)44-16-17-75-30(55)12-10-8-6-4-3-5-7-9-11-14-45-37(58)24-18-25(41)26(50-51-43)19-27(24)53/h18-19,22-23,28,32-34,39,53,56-57H,3-17,20-21H2,1-2H3,(H,44,54)(H,45,58)(H,46,59)(H,63,64)(H,65,66)(H2,42,47,48)(H2,60,61,62)/t28-,32-,33-,34+,39-/m1/s1/i41-2 | ||||
| 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)CCCCCCCCCCCNC(=O)C4=CC(=C(C=C4O)N=[N+]=[N-])I)O | ||||
