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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2009-03-09 11:32:09 UTC
Update Date2023-02-21 17:17:36 UTC
HMDB IDHMDB0011751
Secondary Accession Numbers
  • HMDB11751
Metabolite Identification
Common Name3-Methoxybenzenepropanoic acid
Description3-Methoxybenzenepropanoic acid belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. 3-Methoxybenzenepropanoic 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 3-methoxybenzenepropanoic acid a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on 3-Methoxybenzenepropanoic acid.
Structure
Thumb
Synonyms
ValueSource
3-MethoxybenzenepropanoateGenerator
3-(3-Methoxyphenyl)propanoateHMDB, Generator
3-(3-Methoxyphenyl)propanoic acidHMDB
3-(3-Methoxyphenyl)propionateHMDB
3-(m-Methoxyphenyl)propionateHMDB
3-(m-Methoxyphenyl)propionic acidHMDB
3-MethoxybenzenepropionateHMDB
3-Methoxybenzenepropionic acidHMDB
3-MethoxydihydrocinnamateHMDB
3-Methoxydihydrocinnamic acidHMDB
m-MethoxyhydrocinnamateHMDB
m-Methoxyhydrocinnamic acidHMDB
3-(3’-Methoxyphenyl)propanoic acidHMDB
Chemical FormulaC10H12O3
Average Molecular Weight180.2005
Monoisotopic Molecular Weight180.07864425
IUPAC Name3-(3-methoxyphenyl)propanoic acid
Traditional Name3-(3-methoxyphenyl)propanoic acid
CAS Registry Number10516-71-9
SMILES
COC1=CC=CC(CCC(O)=O)=C1
InChI Identifier
InChI=1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChI KeyBJJQJLOZWBZEGA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassPhenylpropanoic acids
Sub ClassNot Available
Direct ParentPhenylpropanoic acids
Alternative Parents
Substituents
  • 3-phenylpropanoic-acid
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Benzenoid
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Ether
  • Carboxylic acid
  • Organic oxygen compound
  • Organooxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
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 Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
details
UrineDetected and Quantified3.6 (0.8-26.2) umol/mmol creatinineChildren (1-13 years old)Both
Normal
details
UrineDetected and Quantified2.2 umol/mmol creatinineNewborn (0-30 days old)BothNormal details
UrineDetected and Quantified3.4 (0.8-11.9) umol/mmol creatinineAdolescent (13-18 years old)Both
Normal
details
UrineDetected and Quantified3.9 (0.6-7.0) umol/mmol creatinineChildren (1-13 years old)Both
Normal
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028423
KNApSAcK IDNot Available
Chemspider ID59714
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound66336
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. Guneral F, Bachmann C: Age-related reference values for urinary organic acids in a healthy Turkish pediatric population. Clin Chem. 1994 Jun;40(6):862-6. [PubMed:8087979 ]

Enzymes

General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
3-Methoxybenzenepropanoic acid → 3,4,5-trihydroxy-6-{[3-(3-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic aciddetails