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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 C08543
pubchemid 10736
name Dopaxanthin
formula C18H18N2O8
structure
Isomeric_Smiles CCCCCCCCCCCCCCCC(=O)OCC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl
Cannoical_Smiles CCCCCCCCCCCCCCCC(=O)OCC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl
Gotenzyme_Smiles O=C(O)C1=C/C(=C/C=N\[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)C[C@@H](C(=O)O)N1