EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77313 - rosuvastatin(1−)

ChEBI IDCHEBI:77313
ChEBI Namerosuvastatin(1−)
Stars
ASCII Namerosuvastatin(1-)
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of rosuvastatin, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified12 February 2014
SubmitterSteve
DownloadsMolfile
FormulaC22H27FN3O6S
Net Charge-1
Average Mass480.538
Monoisotopic Mass480.16101
SMILESCC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-]
InChIInChI=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
InChIKeyBPRHUIZQVSMCRT-VEUZHWNKSA-M
ChEBI Ontology
Outgoing Relation(s)
rosuvastatin(1−) (CHEBI:77313) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
rosuvastatin(1−) (CHEBI:77313) is conjugate base of rosuvastatin (CHEBI:38545)
Incoming Relation(s)
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 anionChEBI