产品名称： 1-Cyclohexenecarbonyl-CoA
其他名称： 1-Cyclohexenecarbonyl-CoA;2-Coenzyme A, S-1-cyclohexene-1-carboxylate
CAS：6420-00-4
其他名称： 1-Cyclohexenecarbonyl-CoA;2-Coenzyme A, S-1-cyclohexene-1-carboxylate
CAS：6420-00-4
结构信息
| 分子式 | C28H44N7O17P3S | 分子量 | 875.681 | ||
| IUPAC Name | S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) cyclohex-1-ene-1-carbothioate | ||||
| InChIKey | YTTZSBMCHSFQSJ-TYHXJLICSA-N | ||||
| InChI | 1S/C28H44N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h6,14-15,17,20-22,26,37-38H,3-5,7-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1 | ||||
| SMILES | O[C@@H]1[C@@H]([C@H](O[C@@]1([H])N1C=NC2=C(N=CN=C12)N)COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(C1=CCCCC1)=O)OP(O)(O)=O | ||||
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