产品名称：
S-(2,3-dihydrogen-2-hydroxy-1,2,3-propanetricarboxylate)-CoA
其他名称： Coenzyme A,S-(2,3-dihydrogen 2-hydroxy-1,2,3-propanetricarboxylate)
CAS：3131-26-8
其他名称： Coenzyme A,S-(2,3-dihydrogen 2-hydroxy-1,2,3-propanetricarboxylate)
CAS：3131-26-8
结构信息
| 分子式 | C27H42N7O22P3S | 分子量 | 941.64 | ||
| IUPAC Name | 2-[2-[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]ethylsulfanyl]-2-oxoethyl]-2-hydroxybutanedioic acid | ||||
| InChIKey | IHVFHZGGMJDGGZ-UHFFFAOYSA-N | ||||
| InChI | InChI=1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47) | ||||
| 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)CC(CC(=O)O)(C(=O)O)O)O | ||||
