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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 C15375
pubchemid 17396372
name Apocholic acid
formula C24H38O4
structure
Isomeric_Smiles CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2OC(F)(F)F)[N+](=O)[O-]
Cannoical_Smiles CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2OC(F)(F)F)[N+](=O)[O-]
Gotenzyme_Smiles C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C