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CHEBI:183888 - O-Hydroxyatorvastatin lactone

ChEBI IDCHEBI:183888
ChEBI NameO-Hydroxyatorvastatin lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H33FN2O5
Net Charge0
Average Mass556.634
Monoisotopic Mass556.23735
SMILESCC(C)c1c(C(=O)Nc2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C33H33FN2O5/c1-20(2)31-30(33(40)35-26-10-6-7-11-27(26)38)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-25-18-24(37)19-28(39)41-25/h3-15,20,24-25,37-38H,16-19H2,1-2H3,(H,35,40)/t24-,25-/m1/s1
InChIKeyMNECBMZJZFGTIK-JWQCQUIFSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
O-Hydroxyatorvastatin lactone (CHEBI:183888) is a pyrroles (CHEBI:26455)
IUPAC Name 
5-(4-luorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
Manual XrefsDatabases
8825792ChemSpider
Registry NumbersSources
CAS:163217-74-1ChemIDplus