产品名称：
4-trans-3-oxo-undecenoyl-CoA
其他名称： 4E-3-oxo-undecenoyl-CoA；4-trans-3-oxo-undecenoyl-CoA
其他名称： 4E-3-oxo-undecenoyl-CoA；4-trans-3-oxo-undecenoyl-CoA
结构信息
| 分子式 | C32H48N7O18P3S-4 | 分子量 | 943.7 | ||
| 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-[(E)-3-oxoundec-4-enoyl]sulfanylethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | XBFQFVLNMJDDNG-DUPKWVSKSA-J | ||||
| InChI | InChI=1S/C32H52N7O18P3S/c1-4-5-6-7-8-9-10-20(40)15-23(42)61-14-13-34-22(41)11-12-35-30(45)27(44)32(2,3)17-54-60(51,52)57-59(49,50)53-16-21-26(56-58(46,47)48)25(43)31(55-21)39-19-38-24-28(33)36-18-37-29(24)39/h9-10,18-19,21,25-27,31,43-44H,4-8,11-17H2,1-3H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/p-4/b10-9+/t21-,25-,26-,27+,31-/m1/s1 | ||||
| SMILES | CCCCCCC=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O | ||||
