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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:15:27 UTC
HMDB IDHMDB0001119
Secondary Accession Numbers
  • HMDB01119
Metabolite Identification
Common Name4-Hydroxy-4-(3-pyridyl)-butanoic acid
Description4-Hydroxy-4-(3-pyridyl)-butanoic acid, also known as 4-HOPC4a, belongs to the class of organic compounds known as pyridines and derivatives. Pyridines and derivatives are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. 4-Hydroxy-4-(3-pyridyl)-butanoic acid has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make 4-hydroxy-4-(3-pyridyl)-butanoic acid a potential biomarker for the consumption of these foods. 4-Hydroxy-4-(3-pyridyl)-butanoic acid is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on 4-Hydroxy-4-(3-pyridyl)-butanoic acid.
Structure
Data?1676999727
Synonyms
ValueSource
4-Hydroxy-4-(3-pyridyl)-butanoateGenerator
4-HOPC4aMeSH
4-Hydroxy-4-(3-pyridyl)butanoic acidMeSH
4-Hydroxy-4-(3-pyridyl)butyric acidMeSH
4-(3-Pyridyl)-4-hydroxybutyrateHMDB
4-(3-Pyridyl)-4-hydroxybutyric acidHMDB
gamma-(3-Pyridyl)-gamma-hydroxybutyrateHMDB
gamma-(3-Pyridyl)-gamma-hydroxybutyric acidHMDB
g-Hydroxy-3-pyridinebutanoateGenerator, HMDB
g-Hydroxy-3-pyridinebutanoic acidGenerator, HMDB
gamma-Hydroxy-3-pyridinebutanoic acidGenerator, HMDB
Γ-hydroxy-3-pyridinebutanoateGenerator, HMDB
Γ-hydroxy-3-pyridinebutanoic acidGenerator, HMDB
Chemical FormulaC9H11NO3
Average Molecular Weight181.1885
Monoisotopic Molecular Weight181.073893223
IUPAC Name4-hydroxy-4-(pyridin-3-yl)butanoic acid
Traditional Name4-hydroxy-4-(pyridin-3-yl)butanoic acid
CAS Registry Number15569-97-8
SMILES
OC(CCC(O)=O)C1=CC=CN=C1
InChI Identifier
InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)
InChI KeySTZOZPPVGWNSMC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyridines and derivatives. Pyridines and derivatives are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassNot Available
Direct ParentPyridines and derivatives
Alternative Parents
Substituents
  • Pyridine
  • Heteroaromatic compound
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Aromatic alcohol
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Alcohol
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
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 LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022433
KNApSAcK IDNot Available
Chemspider ID425
KEGG Compound IDC19579
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6015
PubChem Compound438
PDB IDNot Available
ChEBI ID82573
Food Biomarker OntologyNot Available
VMH IDM01929
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Bardodej Z: Metabolic studies and the evaluation of genetic risk from the viewpoint of industrial toxicology. Mutat Res. 1976 Nov 1;41(1 spel. no):7-14. [PubMed:796709 ]