CHEBI:77313 - rosuvastatin(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rosuvastatin(1−)
ChEBI ID CHEBI:77313
ChEBI ASCII Name rosuvastatin(1-)
Definition A hydroxy monocarboxylic acid anion that is the conjugate base of rosuvastatin, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H27FN3O6S
Net Charge -1
Average Mass 480.53000
Monoisotopic Mass 480.16101
InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/p-1/b10-9+/t16-,17-/m1/s1
InChIKey BPRHUIZQVSMCRT-VEUZHWNKSA-M
SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O
ChEBI Ontology
Outgoing rosuvastatin(1−) (CHEBI:77313) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
rosuvastatin(1−) (CHEBI:77313) is conjugate base of rosuvastatin (CHEBI:38545)
Incoming rosuvastatin calcium (CHEBI:77249) has part rosuvastatin(1−) (CHEBI:77313)
rosuvastatin (CHEBI:38545) is conjugate acid of rosuvastatin(1−) (CHEBI:77313)
IUPAC Name
(3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate
Synonym Source
rosuvastatin anion ChEBI
Last Modified
12 February 2014