产品名称：3-Hydroxyisovaleryl-CoA
其他名称：3-羟基异戊酰辅酶A;β-Hydroxyisovaleryl coenzyme A；3-methylhydroxybutyryl-CoA；Coenzyme A,S-(3-hydroxy-3-methylbutanoate)
CAS：6711-29-1
其他名称：3-羟基异戊酰辅酶A;β-Hydroxyisovaleryl coenzyme A；3-methylhydroxybutyryl-CoA；Coenzyme A,S-(3-hydroxy-3-methylbutanoate)
CAS：6711-29-1
结构信息
| 分子式 | C26H44N7O18P3S | 分子量 | 867.65 | ||
| 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) 3-hydroxy-3-methylbutanethioate | ||||
| InChIKey | PEVZKILCBDEOBT-CITAKDKDSA-N | ||||
| InChI | 1S/C26H44N7O18P3S/c1-25(2,20(37)23(38)29-6-5-15(34)28-7-8-55-16(35)9-26(3,4)39)11-48-54(45,46)51-53(43,44)47-10-14-19(50-52(40,41)42)18(36)24(49-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37,39H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20+,24-/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(=O)CC(O)(C)C)OP(O)(O)=O | ||||
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