生物智能计算平台

化合物信息

名称 内容
kegg编号 C12691
pubchemid 583081
name Cefacetrile sodium
formula C13H12N3O6S. Na
structure
Isomeric_Smiles CC(C)CCCC(C)C1=CCC23C1(CCC4(C2CCC4(C(C3)C(=O)OC)C(=O)OC)C)C
Cannoical_Smiles CC(C)CCCC(C)C1=CCC23C1(CCC4(C2CCC4(C(C3)C(=O)OC)C(=O)OC)C)C
Gotenzyme_Smiles CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CC#N)[C@H]2SC1.[Na+]