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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 C11149
pubchemid 13331
name Dichloroacetate
formula C2H2Cl2O2
structure
Isomeric_Smiles CCC(=O)C(CC(C)N1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
Cannoical_Smiles CCC(=O)C(CC(C)N1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
Gotenzyme_Smiles O=C(O)C(Cl)Cl