产品名称：
3-oxopropanoyl-CoA(4-)
其他名称： 3-oxopropanoyl-CoA(4-)；3-oxo-propionyl-CoA；malonate semialdehyde-CoA；malonate semialdehyde-coenzyme A；3-oxopropanoyl-coenzyme A(4-)；CHEBI:84996；Q27158250
其他名称： 3-oxopropanoyl-CoA(4-)；3-oxo-propionyl-CoA；malonate semialdehyde-CoA；malonate semialdehyde-coenzyme A；3-oxopropanoyl-coenzyme A(4-)；CHEBI:84996；Q27158250
结构信息
| 分子式 | C24H34N7O18P3S-4 | 分子量 | 833.6 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxopropanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | NMEYBPUHJHMRHU-IEXPHMLFSA-J | ||||
| InChI | InChI=1S/C24H38N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h7,11-13,17-19,23,35-36H,3-6,8-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/p-4/t13-,17-,18-,19+,23-/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)NCCSC(=O)CC=O)O | ||||
