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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:41:39 UTC
Update Date2023-02-21 17:20:04 UTC
HMDB IDHMDB0031212
Secondary Accession Numbers
  • HMDB31212
Metabolite Identification
Common NameEthoxyacetic acid
DescriptionEthoxyacetic acid, also known as ethoxyacetate, belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Ethoxyacetic acid has been detected, but not quantified in, herbs and spices and milk (cow). This could make ethoxyacetic acid a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Ethoxyacetic acid.
Structure
Data?1677000004
Synonyms
ValueSource
EthoxyacetateGenerator
Ethoxy-acetic acid anionChEMBL, HMDB
Ethoxy-acetate anionGenerator, HMDB
2-Ethoxy-acetic acidHMDB
2-Ethoxyacetic acidHMDB, MeSH
Ethoxy acetic acidHMDB
Ethoxy-acetic acidHMDB
ETHOXYACETIC ACID (egmee (110-80-5))HMDB
Glycolic acid ethyl etherHMDB
O-Ethylglycolic acidHMDB
2-EthoxyacetateGenerator
Ethoxyacetic acidMeSH
Chemical FormulaC4H8O3
Average Molecular Weight104.1045
Monoisotopic Molecular Weight104.047344122
IUPAC Name2-ethoxyacetic acid
Traditional Nameacetic acid, ethoxy-
CAS Registry Number627-03-2
SMILES
CCOCC(O)=O
InChI Identifier
InChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChI KeyYZGQDNOIGFBYKF-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acids
Direct ParentCarboxylic acids
Alternative Parents
Substituents
  • Monocarboxylic acid or derivatives
  • Ether
  • Dialkyl ether
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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 Solubility408100 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB003235
KNApSAcK IDNot Available
Chemspider ID11798
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound12301
PDB IDNot Available
ChEBI ID741468
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1243041
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References