RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0187673
RefMet nameHEPES
Systematic name4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid
SynonymsPubChem Synonyms
Exact mass238.098728 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC8H18N2O4SView other entries in RefMet with this formula
Molecular descriptors
Molfile166279 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKeyJKMHFZQWWAIEOD-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC1CN(CCN1CCO)CCS(=O)(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganoheterocyclic compounds
Main ClassPiperazines
Sub ClassPiperazines
Distribution of HEPES in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting HEPES
External Links
Pubchem CID23831
HMDB IDHMDB0062295
Spectral data for HEPES standards
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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