Details of GADOPENTETATE DIMEGLUMINE
| IUPAC | 2-[4,5-dihydroxy-2-[5-hydroxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
| Canonical Smiles | CC(=CC1CC(C2C3CCC4C5(CCC(C(C5CCC4(C36CC2(O1)OC6)C)(C)C)OC7C(C(C(CO7)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(CO9)O)O)O)OC1C(C(C(CO1)O)O)O)C)(C)O)C |
| Inchi | QVKNFOCNXKZPMO-UHFFFAOYSA-N |
| PubChem ID | 131751658 |
| Smiles | CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28C%29%3DCC1CC%28C%29%28O%29C2C3CCC4C5%28C%29CCC%28OC6OCC%28O%29C%28OC7OC%28CO%29C%28O%29C%28O%29C7OC7OCC%28O%29C%28O%29C7O%29C6OC6OCC%28O%29C%28O%29C6O%29C%28C%29%28C%29C5CCC4%28C%29C34COC2%28C4%29O1/file?format=sdf&get3d=True -- CC%28C%29%3DCC1CC%28C%29%28O%29C2C3CCC4C5%28C%29CCC%28OC6OCC%28O%29C%28OC7OC%28CO%29C%28O%29C%28O%29C7OC7OCC%28O%29C%28O%29C7O%29C6OC6OCC%28O%29C%28O%29C6O%29C%28C%29%28C%29C5CCC4%28C%29C34COC2%28C4%29O1 could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |