RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200335
RefMet name	Cerivastatin
Systematic name	(3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid
Synonyms	PubChem Synonyms
Exact mass	459.242101 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C26H34FNO5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	49985 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	SEERZIQQUAZTOL-ANMDKAQQSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(C)c1c(/C=C/[C@H](C[C@H](CC(=O)O)O)O)c(c2ccc(cc2)F)c(COC)c(C(C)C)n1 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Pyridines
Sub Class	Phenylpyridines
Distribution of Cerivastatin in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Cerivastatin
External Links
Pubchem CID	446156
ChEBI ID	3558
EPA CompTox	DTXCID00810444