Statements (27)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:charge |
0
|
| gptkbp:has_functional_parent |
CHEBI:46786
|
| gptkbp:has_parent_hydride |
CHEBI:46786
|
| gptkbp:hasEnantiomer |
CHEBI:134722
|
| gptkbp:hasInChIKey |
UJCMDVZJZQPOOE-UHFFFAOYSA-N
|
| gptkbp:hasMolecularFormula |
C22H28FN3O6S
|
| gptkbp:hasRole |
HMG-CoA reductase inhibitor
environmental contaminant hypolipidemic agent xenobiotic |
| gptkbp:hasSMILES |
CC(C)CC1=CC(=C(C=C1)N(C)S(=O)(=O)C2=NC3=C(C=CC(=C3C(=N2)COC(=O)O)F)C)C(=O)O
|
| gptkbp:heldBy |
gptkb:carboxylic_acid
statin aromatic ether secondary alcohol fluoropyrimidine methanesulfonamide organic sulfur compound |
| https://www.w3.org/2000/01/rdf-schema#label |
CHEBI:46787
|
| gptkbp:isConjugateBaseOf |
CHEBI:132967
|
| gptkbp:IUPACName |
(3R,5S,6E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethanesulfonamido)pyrimidin-5-yl](3,5-dihydroxyhept-6-enoic acid)
|
| gptkbp:mass |
481.539
|
| gptkbp:monoisotopic_mass |
481.171
|
| gptkbp:name |
gptkb:rosuvastatin
|
| gptkbp:bfsParent |
gptkb:plastic
|
| gptkbp:bfsLayer |
4
|