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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 C00051
pubchemid 3353
name Glutathione
formula C10H17N3O6S
structure
Isomeric_Smiles CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CCOC(=O)NCC4=CC=CC=C4)O)C)C(=CC5CCC(C(C5)OC)O)C)O)C)OC)OC
Cannoical_Smiles CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CCOC(=O)NCC4=CC=CC=C4)O)C)C(=CC5CCC(C(C5)OC)O)C)O)C)OC)OC
Gotenzyme_Smiles N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O