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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 C19249
pubchemid 124489921
name 2,4-Hexadienal
formula C6H8O
structure
Isomeric_Smiles CC[C@H](C)[C@@H](C(=O)O)NC(=O)CN1C=CC2=C1C=C(C=C2)Cl
Cannoical_Smiles CCC(C)C(C(=O)O)NC(=O)CN1C=CC2=C1C=C(C=C2)Cl
Gotenzyme_Smiles C/C=C/C=C/C=O