产品名称：
3-oxocholest-4,24-dien-26-oyl-CoA
其他名称： 3-oxocholesta-4,24-dien-26-oyl-CoA(4-)；CHEBI:86414；3-oxocholest-4,24-dien-26-oyl-CoA；3-oxo-cholest-4,24-dien-26-oyl-CoA；cholest-4,24-dien-3-one-26-oyl-CoA；3-oxocholesta-4,24-dien-26-oyl-coenzyme A(4-)
其他名称： 3-oxocholesta-4,24-dien-26-oyl-CoA(4-)；CHEBI:86414；3-oxocholest-4,24-dien-26-oyl-CoA；3-oxo-cholest-4,24-dien-26-oyl-CoA；cholest-4,24-dien-3-one-26-oyl-CoA；3-oxocholesta-4,24-dien-26-oyl-coenzyme A(4-)
结构信息
| 分子式 | C48H70N7O18P3S-4 | 分子量 | 1158.1 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(E,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate | ||||
| InChIKey | GPXOWXUADRQDFI-HFKOAXHOSA-J | ||||
| InChI | InChI=1S/C48H74N7O18P3S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)77-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-70-76(67,68)73-75(65,66)69-23-35-39(72-74(62,63)64)38(58)44(71-35)55-26-54-37-41(49)52-25-53-42(37)55/h9,22,25-27,31-35,38-40,44,58-59H,7-8,10-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/p-4/b28-9+/t27-,31+,32-,33+,34+,35-,38-,39-,40+,44-,47+,48-/m1/s1 | ||||
| SMILES | CC(CCC=C(C)C(=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)C4CCC5C4(CCC6C5CCC7=CC(=O)CCC67C)C | ||||
