产品名称： (4-Chlorobenzoyl)-CoA
其他名称： (4-氯苯甲酰基)-辅酶A;Coenzyme A,S-(4-chlorobenzoate)；4-chlorobenzoyl coenzyme A；4-Cba-coa；4-Chlorobenzoyl coa
CAS：117380-98-0
其他名称： (4-氯苯甲酰基)-辅酶A;Coenzyme A,S-(4-chlorobenzoate)；4-chlorobenzoyl coenzyme A；4-Cba-coa；4-Chlorobenzoyl coa
CAS：117380-98-0
结构信息
| 分子式 | C28H39N7O17P3SCL | 分子量 | 906.09 | ||
| IUPAC Name | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-phenylethanethioate | ||||
| InChIKey | ZIGIFDRJFZYEEQ-UHFFFAOYSA-N | ||||
| InChI | InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44) | ||||
| 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)CC4=CC=CC=C4)O | ||||
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