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CHEBI:189720 - p-hydroxyatorvastatin

ChEBI IDCHEBI:189720
ChEBI Namep-hydroxyatorvastatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H35FN2O6
Net Charge0
Average Mass574.649
Monoisotopic Mass574.24792
SMILESCC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O
InChIInChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t26-,27-/m1/s1
InChIKeySOZOATLLFFVAPM-KAYWLYCHSA-N
ChEBI Ontology
Outgoing Relation(s)
p-hydroxyatorvastatin (CHEBI:189720) is a pyrroles (CHEBI:26455)
IUPAC Name 
(3R,5R)-7-[2-(4-luorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Manual XrefsDatabases
8026819ChemSpider
Registry NumbersSources
CAS:214217-88-6ChemIDplus