产品名称：
(5Z)-3,8-dioxooct-5-enoyl-CoA
其他名称： (5Z)-3,8-dioxooct-5-enoyl-CoA；3-oxo-5,6-didehydrosuberyl-CoA semialdehyde
其他名称： (5Z)-3,8-dioxooct-5-enoyl-CoA；3-oxo-5,6-didehydrosuberyl-CoA semialdehyde
结构信息
| 分子式 | C29H40N7O19P3S-4 | 分子量 | 915.7 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(Z)-3,8-dioxooct-5-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate | ||||
| InChIKey | XYGQIZWAZKPGNV-ZVEAYUPDSA-J | ||||
| InChI | InChI=1S/C29H44N7O19P3S/c1-29(2,24(42)27(43)32-8-7-19(39)31-9-11-59-20(40)12-17(38)6-4-3-5-10-37)14-52-58(49,50)55-57(47,48)51-13-18-23(54-56(44,45)46)22(41)28(53-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-4,10,15-16,18,22-24,28,41-42H,5-9,11-14H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/p-4/b4-3-/t18-,22-,23-,24+,28-/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)CC=CCC=O)O | ||||
