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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 C07862
pubchemid 10064
name Tridihexethyl iodide
formula C21H36NO. I
structure
Isomeric_Smiles C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@@H]1CC5=C3C(=C(C=C5)O)O4)O
Cannoical_Smiles C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O
Gotenzyme_Smiles CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1.[I-]