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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 C13058
pubchemid 585122
name Calcium L-aspartate
formula C4H5NO4. Ca
structure
Isomeric_Smiles CC1=CC(=C(C(=C1C)S(=O)(=O)NCCOC23CC4CC(C2)CC(C4)C3)C)C
Cannoical_Smiles CC1=CC(=C(C(=C1C)S(=O)(=O)NCCOC23CC4CC(C2)CC(C4)C3)C)C
Gotenzyme_Smiles N[C@@H](CC(=O)[O-])C(=O)[O-].[Ca+2]