Hmdb loader
Show more...Show more...Show more...
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 00:27:02 UTC
Update Date2021-09-26 22:57:09 UTC
HMDB IDHMDB0247444
Secondary Accession NumbersNone
Metabolite Identification
Common Name8-Hydroxyquinoline-5-sulfonic acid
Description8-Hydroxyquinoline-5-sulfonic acid, also known as copper 8-oxyquinoline sulfonate, belongs to the class of organic compounds known as hydroxyquinolines. Hydroxyquinolines are compounds containing a quinoline moiety bearing a hydroxyl group. 8-Hydroxyquinoline-5-sulfonic acid exists in all living organisms, ranging from bacteria to humans. Based on a literature review a significant number of articles have been published on 8-Hydroxyquinoline-5-sulfonic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). 8-hydroxyquinoline-5-sulfonic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 8-Hydroxyquinoline-5-sulfonic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
8-Hydroxyquinoline-5-sulfonateGenerator
8-Hydroxyquinoline-5-sulphonateGenerator
8-Hydroxyquinoline-5-sulphonic acidGenerator
8-Quinolinol-5-sulfonic acidHMDB
Oxine-5-sulfonic acidHMDB
8-Hydroxyquinoline-5-sulfonic acid, monosodium saltHMDB
Copper 8-oxyquinoline sulfonateHMDB
8-Hydroxyquinoline-5-sulfonic acid, monopotassium saltHMDB
Chemical FormulaC9H7NO4S
Average Molecular Weight225.221
Monoisotopic Molecular Weight225.009578407
IUPAC Name8-hydroxyquinoline-5-sulfonic acid
Traditional Name8-hydroxyquinoline-5-sulfonic acid
CAS Registry NumberNot Available
SMILES
OC1=C2N=CC=CC2=C(C=C1)S(O)(=O)=O
InChI Identifier
InChI=1S/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)
InChI KeyLGDFHDKSYGVKDC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroxyquinolines. Hydroxyquinolines are compounds containing a quinoline moiety bearing a hydroxyl group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Sub ClassHydroxyquinolines
Direct ParentHydroxyquinolines
Alternative Parents
Substituents
  • Hydroxyquinoline
  • 8-hydroxyquinoline
  • Arylsulfonic acid or derivatives
  • 1-sulfo,2-unsubstituted aromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • Pyridine
  • Benzenoid
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Heteroaromatic compound
  • Sulfonyl
  • Organosulfonic acid
  • Azacycle
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID6534
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6792
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]