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 C14598
pubchemid 17395598
name 3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione
formula C21H32O4
structure
Isomeric_Smiles CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CSC3=NC=CN3C4=CC(=CC=C4)F
Cannoical_Smiles CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CSC3=NC=CN3C4=CC(=CC=C4)F
Gotenzyme_Smiles CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C