产品名称:
3,22-dioxochol-4-en-24-oyl-CoA
其他名称: 3,22-dioxochol-4-en-24-oyl-CoA(4-);3,22-dioxochol-4-en-24-oyl-CoA;CHEBI:86014;3,22-diketochol-4-en-24-oyl-CoA(4-);3,22-dioxochol-4-en-24-oyl-coenzyme A(4-);3,22-diketochol-4-en-24-oyl-coenzyme A(4-);Q27158847
其他名称: 3,22-dioxochol-4-en-24-oyl-CoA(4-);3,22-dioxochol-4-en-24-oyl-CoA;CHEBI:86014;3,22-diketochol-4-en-24-oyl-CoA(4-);3,22-dioxochol-4-en-24-oyl-coenzyme A(4-);3,22-diketochol-4-en-24-oyl-coenzyme A(4-);Q27158847
结构信息
分子式 | C45H64N7O19P3S-4 | 分子量 | 1132 | ||
IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(4S)-4-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-oxopentanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate | ||||
InChIKey | MUOUYOUSQGFFIP-GDRSPGQTSA-J | ||||
InChI | InChI=1S/C45H68N7O19P3S/c1-24(28-8-9-29-27-7-6-25-18-26(53)10-13-44(25,4)30(27)11-14-45(28,29)5)31(54)19-34(56)75-17-16-47-33(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-32-37(70-72(60,61)62)36(57)42(69-32)52-23-51-35-39(46)49-22-50-40(35)52/h18,22-24,27-30,32,36-38,42,57-58H,6-17,19-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/p-4/t24-,27-,28+,29-,30-,32+,36+,37+,38-,42+,44-,45+/m0/s1 | ||||
SMILES | CC(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)([O-])[O-])O |