生物智能计算平台

化合物信息

名称 内容
kegg编号 C15186
pubchemid 17396183
name 5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate
formula C23H32O2
structure
Isomeric_Smiles CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NNC(=N2)C3=CC=CS3
Cannoical_Smiles CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NNC(=N2)C3=CC=CS3
Gotenzyme_Smiles C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C