生物智能计算平台

化合物信息

名称 内容
kegg编号 C03345
pubchemid 6188
name 2-Methylbut-2-enoyl-CoA
formula C26H42N7O17P3S
structure
Isomeric_Smiles CC[N+](CC)(CC)C1CC[C@]2(C(C1)CC[C@@H]3C2CC[C@]4(C3CCC4[N+](CC)(CC)CC)C)C
Cannoical_Smiles CC[N+](CC)(CC)C1CCC2(C(C1)CCC3C2CCC4(C3CCC4[N+](CC)(CC)CC)C)C
Gotenzyme_Smiles C/C=C(\C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O