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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-06-15 16:49:32 UTC
Update Date2021-09-14 14:57:39 UTC
HMDB IDHMDB0060557
Secondary Accession Numbers
  • HMDB60557
Metabolite Identification
Common Namebeta-(2-Methoxyphenoxy)-lactic acid
Descriptionbeta-(2-Methoxyphenoxy)-lactic acid is a metabolite of guaifenesin. Guaifenesin INN or guaiphenesin, also glyceryl guaiacolate, is an expectorant drug sold over the counter and usually taken orally to assist the bringing up of phlegm from the airways in acute respiratory tract infections. (Wikipedia)
Structure
Thumb
Synonyms
ValueSource
b-(2-Methoxyphenoxy)-lactateGenerator
b-(2-Methoxyphenoxy)-lactic acidGenerator
beta-(2-Methoxyphenoxy)-lactateGenerator
Β-(2-methoxyphenoxy)-lactateGenerator
Β-(2-methoxyphenoxy)-lactic acidGenerator
beta-(2-Methoxyphenoxy)lactic acidHMDB
2-Hydroxy-3-(2-methoxyphenoxy)propanoateGenerator
Chemical FormulaC10H12O5
Average Molecular Weight212.1993
Monoisotopic Molecular Weight212.068473494
IUPAC Name2-hydroxy-3-(2-methoxyphenoxy)propanoic acid
Traditional Name2-hydroxy-3-(2-methoxyphenoxy)propanoic acid
CAS Registry NumberNot Available
SMILES
COC1=CC=CC=C1OCC(O)C(O)=O
InChI Identifier
InChI=1S/C10H12O5/c1-14-8-4-2-3-5-9(8)15-6-7(11)10(12)13/h2-5,7,11H,6H2,1H3,(H,12,13)
InChI KeyMXVBBOLVTSAHEX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenol ethers
Sub ClassAnisoles
Direct ParentAnisoles
Alternative Parents
Substituents
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Alkyl aryl ether
  • Glyceric_acid
  • Alpha-hydroxy acid
  • Monocyclic benzene moiety
  • Hydroxy acid
  • Monosaccharide
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Ether
  • Carboxylic acid
  • Carboxylic acid derivative
  • Alcohol
  • Carbonyl group
  • Organic oxygen compound
  • Organic oxide
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic 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 Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
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 IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound151727
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 ReferencesNot Available