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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 C11838
pubchemid 14000
name (S)-4,5-Dihydroxypentane-2,3-dione
formula C5H8O4
structure
Isomeric_Smiles CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CNC3=CC=CC=C32
Cannoical_Smiles CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CNC3=CC=CC=C32
Gotenzyme_Smiles CC(=O)C(=O)[C@@H](O)CO