产品名称： S-(4-carboxy-3-hydroxy-3-methylbutyl)-CoA
其他名称： S-(4-carboxy-3-hydroxy-3-methylbutyl)-coenzyme A
CAS：78901-91-4
其他名称： S-(4-carboxy-3-hydroxy-3-methylbutyl)-coenzyme A
CAS：78901-91-4
结构信息
| 分子式 | C27H46N7O19P3S | 分子量 | 897.68 | ||
| IUPAC Name | (3R)-5-[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]ethylsulfanyl]-3-hydroxy-3-methylpentanoic acid | ||||
| InChIKey | WJVWFKKGYOZUEZ-PQMUVBQJSA-N | ||||
| InChI | InChI=1S/C27H46N7O19P3S/c1-26(2,21(39)24(40)30-6-4-16(35)29-7-9-57-8-5-27(3,41)10-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-20(52-54(42,43)44)19(38)25(51-15)34-14-33-18-22(28)31-13-32-23(18)34/h13-15,19-21,25,38-39,41H,4-12H2,1-3H3,(H,29,35)(H,30,40)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15-,19-,20-,21+,25-,27+/m1/s1 | ||||
| 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)NCCSCCC(C)(CC(=O)O)O)O | ||||
