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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 C19275
pubchemid 124489947
name Nitromethane
formula CH3NO2
structure
Isomeric_Smiles CCCCC[C@@H](/C=C/[C@@H]1[C@@H](CC(=O)[C@H]1CC(=O)CCCCC(=O)O)O)O
Cannoical_Smiles CCCCCC(C=CC1C(CC(=O)C1CC(=O)CCCCC(=O)O)O)O
Gotenzyme_Smiles C[N+](=O)[O-]