Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:54:27 UTC
Update Date2024-04-30 19:33:38 UTC
Metabolite IDMMDBc0000764
Metabolite Identification
Common Name3-Hydroxypyridine sulfate
Description3-Hydroxypyridine sulfate belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether group. 3-Hydroxypyridine sulfate is a potential urinary biomarker of whole grain intake (PMID: 27805021 ).
Structure
Synonyms
ValueSource
3-Pyridinol sulfateChEBI
3-Pyridinol sulfuric acidGenerator
3-Pyridinol sulphateGenerator
3-Pyridinol sulphuric acidGenerator
3-Hydroxypyridine sulfuric acidGenerator
3-Hydroxypyridine sulphateGenerator
3-Hydroxypyridine sulphuric acidGenerator
3-HydroxypyridinesulfateHMDB
3-HydroxypyridinesulphateHMDB
Molecular FormulaC5H5NO4S
Average Mass175.16
Monoisotopic Mass174.993928819
IUPAC Name(pyridin-3-yl)oxidanesulfonic acid
Traditional Namepyridin-3-yloxidanesulfonic acid
CAS Registry NumberNot Available
SMILES
OS(=O)(=O)OC1=CN=CC=C1
InChI Identifier
InChI=1S/C5H5NO4S/c7-11(8,9)10-5-2-1-3-6-4-5/h1-4H,(H,7,8,9)
InChI KeyBDERIBJTVYFANV-UHFFFAOYSA-N