RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0071714
RefMet name	Sulfate
Systematic name	Sulfate(2-)
Synonyms	PubChem Synonyms
Exact mass	95.951732 (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	O4S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	201514 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	QAOWNCQODCNURD-UHFFFAOYSA-L	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	O=S(=O)([O-])[O-] Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Inorganic compounds
Main Class	Sulfur inorganic compounds
Sub Class	Sulfates
Distribution of Sulfate 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 Sulfate
External Links
Pubchem CID	1117
ChEBI ID	16189
HMDB ID	HMDB0001448
Chemspider ID	1085
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)