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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 C00966
pubchemid 4217
name 2-Dehydropantoate
formula C6H10O4
structure
Isomeric_Smiles C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl
Cannoical_Smiles C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl
Gotenzyme_Smiles CC(C)(CO)C(=O)C(=O)O