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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 C15499
pubchemid 17396491
name Pentane-2,4-dione
formula C5H8O2
structure
Isomeric_Smiles COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)OC
Cannoical_Smiles COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)OC
Gotenzyme_Smiles CC(=O)CC(C)=O