产品名称：
3beta-hydroxychol-5-en-24-oyl-CoA
其他名称： 3beta-hydroxychol-5-en-24-oyl-CoA；CHEBI:86305；3beta-hydroxychol-5-en-24-oyl-coenzyme A；Q27159066；3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3beta-hydroxychol-5-en-24-oyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
其他名称： 3beta-hydroxychol-5-en-24-oyl-CoA；CHEBI:86305；3beta-hydroxychol-5-en-24-oyl-coenzyme A；Q27159066；3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3beta-hydroxychol-5-en-24-oyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
结构信息
| 分子式 | C45H72N7O18P3S | 分子量 | 1124.1 | ||
| 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] (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanethioate | ||||
| InChIKey | DKELDRAQTZYGEK-IOUXELQFSA-N | ||||
| InChI | InChI=1S/C45H72N7O18P3S/c1-25(29-9-10-30-28-8-7-26-20-27(53)12-15-44(26,4)31(28)13-16-45(29,30)5)6-11-34(55)74-19-18-47-33(54)14-17-48-41(58)38(57)43(2,3)22-67-73(64,65)70-72(62,63)66-21-32-37(69-71(59,60)61)36(56)42(68-32)52-24-51-35-39(46)49-23-50-40(35)52/h7,23-25,27-32,36-38,42,53,56-57H,6,8-22H2,1-5H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t25-,27+,28+,29-,30+,31+,32-,36-,37-,38+,42-,44+,45-/m1/s1 | ||||
| SMILES | CC(CCC(=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(CCC6C5CC=C7C6(CCC(C7)O)C)C | ||||
