化合物信息
| 名称 | 内容 |
|---|---|
| kegg编号 | C13106 |
| pubchemid | 585170 |
| name | Gadodiamide hydrate |
| formula | C16H26N5O8. Gd. xH2O |
| structure |  |
| Isomeric_Smiles | C1C2CC3CC1CC(C2)(C3)C(=O)OC4C(=O)NC5=C(C=C(C=C5)Br)C(=N4)C6=CC=CC=C6 |
| Cannoical_Smiles | C1C2CC3CC1CC(C2)(C3)C(=O)OC4C(=O)NC5=C(C=C(C=C5)Br)C(=N4)C6=CC=CC=C6 |
| Gotenzyme_Smiles | CNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)NC)CC(=O)[O-])CC(=O)[O-].O.[Gd+3] |