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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 C15253
pubchemid 17396250
name 16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate
formula C22H31FO3
structure
Isomeric_Smiles COC1=CC=CC(=C1O)C2NC3=CC=CC=C3C(=O)N2CC4CCCO4
Cannoical_Smiles COC1=CC=CC(=C1O)C2NC3=CC=CC=C3C(=O)N2CC4CCCO4
Gotenzyme_Smiles CCC(=O)O[C@H]1[C@@H](F)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C