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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 C00944
pubchemid 4196
name 3-Dehydroquinate
formula C7H10O6
structure
Isomeric_Smiles CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
Cannoical_Smiles CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
Gotenzyme_Smiles O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O