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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 C15354
pubchemid 17396351
name 17beta-Hydroxy-17-methyl-5alpha-androstane-3,11-dione
formula C20H30O3
structure
Isomeric_Smiles CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]
Cannoical_Smiles CC(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]
Gotenzyme_Smiles C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(C)O