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CHEBI:184522 - Rosuvastatin lactone

ChEBI IDCHEBI:184522
ChEBI NameRosuvastatin lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26FN3O5S
Net Charge0
Average Mass463.531
Monoisotopic Mass463.15772
SMILESCC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17-/m1/s1
InChIKeySOEGVMSNJOCVHT-VEUZHWNKSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
Rosuvastatin lactone (CHEBI:184522) is a pyrimidines (CHEBI:39447)
IUPAC Name 
N-[4-(4-luorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulonamide
Manual XrefsDatabases
HMDB0060941HMDB
24599455ChemSpider
Registry NumbersSources
CAS:503610-43-3ChemIDplus