产品名称：
3-oxo-24-(isopropanoyl)-cholest-4,24-dien-26-oyl-CoA
其他名称： 3-oxo-24-(isopropanoyl)-cholest-4,24-dien-26-oyl-CoA
其他名称： 3-oxo-24-(isopropanoyl)-cholest-4,24-dien-26-oyl-CoA
结构信息
| 分子式 | C51H73N7O20P3S-5 | 分子量 | 1229.1 | ||
| IUPAC Name | (3Z,6R)-3-[1-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxopropan-2-ylidene]-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-methylheptanoate | ||||
| InChIKey | FRZCQWAOKDDBQN-PPHSXUQISA-I | ||||
| InChI | InChI=1S/C51H78N7O20P3S/c1-27(34-12-13-35-33-11-9-30-22-31(59)14-17-50(30,6)36(33)15-18-51(34,35)7)8-10-32(28(2)47(64)65)29(3)48(66)82-21-20-53-38(60)16-19-54-45(63)42(62)49(4,5)24-75-81(72,73)78-80(70,71)74-23-37-41(77-79(67,68)69)40(61)46(76-37)58-26-57-39-43(52)55-25-56-44(39)58/h22,25-28,33-37,40-42,46,61-62H,8-21,23-24H2,1-7H3,(H,53,60)(H,54,63)(H,64,65)(H,70,71)(H,72,73)(H2,52,55,56)(H2,67,68,69)/p-5/b32-29-/t27-,28?,33+,34-,35+,36+,37-,40-,41-,42+,46-,50+,51-/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)C(C)C(=O)[O-])C4CCC5C4(CCC6C5CCC7=CC(=O)CCC67C)C | ||||
