产品名称：
9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA(4-)
其他名称： 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA(4-)；9alpha-hydroxy-1,4-BNC-CoA；CHEBI:85547；9alpha-hydroxy-3-oxochola-1,4-dien-22-oyl-CoA；Q27158633；9alpha-hydroxy-3-one-23,24-bisnorchol-1,4-dien-22-yl-CoA；9alpha-hydroxy-3-oxo-23,24-bisnorchol-1,4-dien-22-yl-CoA；9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-coenzyme A(4-)
其他名称： 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA(4-)；9alpha-hydroxy-1,4-BNC-CoA；CHEBI:85547；9alpha-hydroxy-3-oxochola-1,4-dien-22-oyl-CoA；Q27158633；9alpha-hydroxy-3-one-23,24-bisnorchol-1,4-dien-22-yl-CoA；9alpha-hydroxy-3-oxo-23,24-bisnorchol-1,4-dien-22-yl-CoA；9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-coenzyme A(4-)
结构信息
| 分子式 | C43H60N7O19P3S-4 | 分子量 | 1104 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-[(2S)-2-[(8S,9R,10S,13S,14S,17R)-9-hydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propanoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | LADHGLGIICSZTL-ISEMAQJJSA-J | ||||
| InChI | InChI=1S/C43H64N7O19P3S/c1-23(26-8-9-27-28-7-6-24-18-25(51)10-12-42(24,5)43(28,57)14-13-41(26,27)4)39(56)73-17-16-45-30(52)11-15-46-37(55)34(54)40(2,3)20-66-72(63,64)69-71(61,62)65-19-29-33(68-70(58,59)60)32(53)38(67-29)50-22-49-31-35(44)47-21-48-36(31)50/h10,12,18,21-23,26-29,32-34,38,53-54,57H,6-9,11,13-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/p-4/t23-,26+,27-,28-,29+,32+,33+,34-,38+,41+,42-,43+/m0/s1 | ||||
| SMILES | CC(C1CCC2C1(CCC3(C2CCC4=CC(=O)C=CC43C)O)C)C(=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 | ||||
