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CHEBI:183961 - P-Hydroxyatorvastatin lactone

ChEBI IDCHEBI:183961
ChEBI NameP-Hydroxyatorvastatin lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H33FN2O5
Net Charge0
Average Mass556.634
Monoisotopic Mass556.23735
SMILESCC(C)c1c(C(=O)Nc2ccc(O)cc2)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)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-27-18-26(38)19-28(39)41-27/h3-15,20,26-27,37-38H,16-19H2,1-2H3,(H,35,40)/t26-,27-/m1/s1
InChIKeyKDJMDZSAAFACAM-KAYWLYCHSA-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)
P-Hydroxyatorvastatin lactone (CHEBI:183961) is a pyrroles (CHEBI:26455)
IUPAC Name 
5-(4-luorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(4-hydroxyphenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
Manual XrefsDatabases
8113228ChemSpider
Registry NumbersSources
CAS:163217-70-7ChemIDplus