产品名称：
4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoyl-CoA
其他名称： N-methylpyrrolidineacetoacetyl-CoA；4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoyl-CoA
其他名称： N-methylpyrrolidineacetoacetyl-CoA；4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoyl-CoA
结构信息
| 分子式 | C30H46N8O18P3S-3 | 分子量 | 931.7 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-[4-(1-methylpyrrolidin-1-ium-2-yl)-3-oxobutanoyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | MHXHMDGJUQYJOC-YBHYYHSUSA-K | ||||
| InChI | InChI=1S/C30H49N8O18P3S/c1-30(2,25(43)28(44)33-7-6-20(40)32-8-10-60-21(41)12-18(39)11-17-5-4-9-37(17)3)14-53-59(50,51)56-58(48,49)52-13-19-24(55-57(45,46)47)23(42)29(54-19)38-16-36-22-26(31)34-15-35-27(22)38/h15-17,19,23-25,29,42-43H,4-14H2,1-3H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/p-3/t17?,19-,23-,24-,25+,29-/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)CC4CCC[NH+]4C)O | ||||
