产品名称：
3-hydroxy-3-(methylsulfanyl)propanoyl-CoA
其他名称： 3-hydroxy-3-(methylsulfanyl)propanoyl-CoA；3-hydroxy-3-(methylthio)propanoyl-CoA(4-)；CHEBI:84995；Q27158249
其他名称： 3-hydroxy-3-(methylsulfanyl)propanoyl-CoA；3-hydroxy-3-(methylthio)propanoyl-CoA(4-)；CHEBI:84995；Q27158249
结构信息
| 分子式 | C25H38N7O18P3S2-4 | 分子量 | 881.7 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-(3-hydroxy-3-methylsulfanylpropanoyl)sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | AQFMEWZPKSMDQK-HRPHHVHRSA-J | ||||
| InChI | InChI=1S/C25H42N7O18P3S2/c1-25(2,20(37)23(38)28-5-4-14(33)27-6-7-55-16(35)8-15(34)54-3)10-47-53(44,45)50-52(42,43)46-9-13-19(49-51(39,40)41)18(36)24(48-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,15,18-20,24,34,36-37H,4-10H2,1-3H3,(H,27,33)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t13-,15?,18-,19-,20+,24-/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)SC)O | ||||
