产品名称：
3-dehydrocarnityl CoA(3-)
其他名称： 3-dehydrocarnityl CoA(3-)；3-dehydrocarnityl-CoA；CHEBI:85404；Q27158551
其他名称： 3-dehydrocarnityl CoA(3-)；3-dehydrocarnityl-CoA；CHEBI:85404；Q27158551
结构信息
| 分子式 | C28H44N8O18P3S-3 | 分子量 | 905.7 | ||
| 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-oxo-4-(trimethylazaniumyl)butanoyl]sulfanylethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | QNOIWONXQXNHSB-SVHODSNWSA-K | ||||
| InChI | InChI=1S/C28H47N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-15,17,21-23,27,40-41H,6-13H2,1-5H3,(H7-,29,30,31,32,33,38,42,43,44,45,46,47,48,49)/p-3/t17-,21-,22-,23+,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)NCCSC(=O)CC(=O)C[N+](C)(C)C)O | ||||
