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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 C14603
pubchemid 17395603
name 17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate
formula C26H38O3
structure
Isomeric_Smiles CCC1=NN=C(S1)NC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4CC4
Cannoical_Smiles CCC1=NN=C(S1)NC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4CC4
Gotenzyme_Smiles C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1