产品名称：
3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oyl-CoA(4-)
其他名称： 3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oyl-CoA(4-)；3-HSBNC-CoA(4-)；CHEBI:83794；Q27157230；3-hydroxy-9-oxo-9,10-seco-chola-1,3,5-trien-22-oyl-CoA；3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oyl-coenzyme A(4-)
其他名称： 3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oyl-CoA(4-)；3-HSBNC-CoA(4-)；CHEBI:83794；Q27157230；3-hydroxy-9-oxo-9,10-seco-chola-1,3,5-trien-22-oyl-CoA；3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oyl-coenzyme A(4-)
结构信息
| 分子式 | C43H60N7O19P3S-4 | 分子量 | 1104 | ||
| IUPAC Name | [(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-[2-[(2S)-2-[(1R,3aS,4S,7aS)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl]propanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] phosphate | ||||
| InChIKey | PBSYGNWZDBQCKM-MMYXXXJSSA-J | ||||
| InChI | InChI=1S/C43H64N7O19P3S/c1-23-6-8-26(51)18-25(23)7-9-27-29-11-10-28(43(29,5)14-12-30(27)52)24(2)41(57)73-17-16-45-32(53)13-15-46-39(56)36(55)42(3,4)20-66-72(63,64)69-71(61,62)65-19-31-35(68-70(58,59)60)34(54)40(67-31)50-22-49-33-37(44)47-21-48-38(33)50/h6,8,18,21-22,24,27-29,31,34-36,40,51,54-55H,7,9-17,19-20H2,1-5H3,(H,45,53)(H,46,56)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/p-4/t24-,27-,28+,29-,31+,34+,35+,36-,40+,43+/m0/s1 | ||||
| SMILES | CC1=C(C=C(C=C1)O)CCC2C3CCC(C3(CCC2=O)C)C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)OP(=O)([O-])[O-])O | ||||
