生物智能计算平台

化合物信息

名称 内容
kegg编号 C14856
pubchemid 17395854
name 7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene
formula C30H29N3O7S
structure
Isomeric_Smiles CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=CC4=C(C=C3)OCO4
Cannoical_Smiles CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=CC4=C(C=C3)OCO4
Gotenzyme_Smiles N[C@@H](CCC(=O)N[C@@H](CSC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1O)C(=O)NCC(=O)O)C(=O)O