产品名称：
3,22-diketochol-4-en-24-oyl-CoA
其他名称： 3,22-dioxochol-4-en-24-oyl-CoA；CHEBI:86293；3,22-diketochol-4-en-24-oyl-CoA；3,22-dioxochol-4-en-24-oyl-coenzyme A；3,22-diketochol-4-en-24-oyl-coenzyme A；Q27159057；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3,22-dioxochol-4-en-24-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
其他名称： 3,22-dioxochol-4-en-24-oyl-CoA；CHEBI:86293；3,22-diketochol-4-en-24-oyl-CoA；3,22-dioxochol-4-en-24-oyl-coenzyme A；3,22-diketochol-4-en-24-oyl-coenzyme A；Q27159057；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3,22-dioxochol-4-en-24-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
结构信息
| 分子式 | C45H68N7O19P3S | 分子量 | 1136 | ||
| IUPAC Name | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (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-oxopentanethioate | ||||
| InChIKey | MUOUYOUSQGFFIP-GDRSPGQTSA-N | ||||
| 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)/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 | ||||
