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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 C14960
pubchemid 17395958
name 1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol
formula C19H32O2S2
structure
Isomeric_Smiles CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CCC3=CC=CS3
Cannoical_Smiles CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CCC3=CC=CS3
Gotenzyme_Smiles C[C@]12CC[C@H]3[C@@H](CC[C@@]4(S)C[C@H](O)C[C@H](S)[C@]34C)[C@@H]1CC[C@@H]2O