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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 C03063
pubchemid 5963
name 2-Oxohept-3-enedioate
formula C7H8O5
structure
Isomeric_Smiles C[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Cannoical_Smiles C[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Gotenzyme_Smiles O=C(O)CC/C=C\C(=O)C(=O)O