RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0157979
RefMet name	Topiramate
Systematic name	2,3:4,5-Bis-O-(1-methylethylidene)-beta-D-fructopyranose sulfamate
Synonyms	PubChem Synonyms
Exact mass	339.098791 (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	C12H21NO8S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38716 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12 +/m1/s1
InChIKey	KJADKKWYZYXHBB-XBWDGYHZSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC1(C)O[C@@H]2CO[C@]3(COS(=O)(=O)N)[C@H]([C@@H]2O1)OC(C)(C)O3 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Dioxolopyrans
Sub Class	Dioxolopyrans
Distribution of Topiramate 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 Topiramate
External Links
Pubchem CID	5284627
ChEBI ID	63631
KEGG ID	C07502
HMDB ID	HMDB0005034
Chemspider ID	4447672
EPA CompTox	DTXCID10208919
Spectral data for Topiramate standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)