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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 C01104
pubchemid 4338
name Trimethylamine N-oxide
formula C3H9NO
structure
Isomeric_Smiles CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C
Cannoical_Smiles CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C
Gotenzyme_Smiles C[N+](C)(C)[O-]