RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0108906
RefMet name2-Aminobenzenesulfonic acid
Systematic name2-aminobenzenesulfonic acid
SynonymsPubChem Synonyms
Exact mass173.014666 (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
FormulaC6H7NO3SView other entries in RefMet with this formula
Molecular descriptors
Molfile52837 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
InChIKeyZMCHBSMFKQYNKA-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1ccc(c(c1)N)S(=O)(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassBenzenesulfonic acids
Distribution of 2-Aminobenzenesulfonic acid 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 2-Aminobenzenesulfonic acid
External Links
Pubchem CID6926
ChEBI ID1015
KEGG IDC06333
HMDB IDHMDB0304940
Spectral data for 2-Aminobenzenesulfonic acid standards
BMRB ID(NMR)View NMR spectra
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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