跳到正文Skip to content
MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C14669
pubchemid 17395668
name 12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione
formula C21H29BrO3
structure
Isomeric_Smiles CC1=CC(=C(C=C1NC(=O)C2=C(SC(=C2)C)C)OC)OC
Cannoical_Smiles CC1=CC(=C(C=C1NC(=O)C2=C(SC(=C2)C)C)OC)OC
Gotenzyme_Smiles CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)[C@H](Br)[C@]12C