CHEBI:132098 - methoxyacetic acid

ChEBI IDCHEBI:132098
ChEBI Namemethoxyacetic acid
Stars
DefinitionA monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a methoxy group.
Last Modified31 May 2016
SubmitterSteve
DownloadsMolfile
FormulaC3H6O3
Net Charge0
Average Mass90.078
Monoisotopic Mass90.03169
SMILESCOCC(=O)O
InChIInChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKeyRMIODHQZRUFFFF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
methoxyacetic acid (CHEBI:132098) has functional parent acetic acid (CHEBI:15366)
methoxyacetic acid (CHEBI:132098) has role antineoplastic agent (CHEBI:35610)
methoxyacetic acid (CHEBI:132098) has role apoptosis inducer (CHEBI:68495)
methoxyacetic acid (CHEBI:132098) has role human xenobiotic metabolite (CHEBI:76967)
methoxyacetic acid (CHEBI:132098) has role mutagen (CHEBI:25435)
methoxyacetic acid (CHEBI:132098) is a ether (CHEBI:25698)
methoxyacetic acid (CHEBI:132098) is a monocarboxylic acid (CHEBI:25384)
methoxyacetic acid (CHEBI:132098) is conjugate acid of methoxyacetate (CHEBI:132097)
Incoming Relation(s)
methoxyacetate (CHEBI:132097) is conjugate base of methoxyacetic acid (CHEBI:132098)
IUPAC Name 
methoxyacetic acid
Synonyms  Source
2-Methoxyacetic acidChemIDplus
CH3OCH2COOHNIST Chemistry WebBook
Methoxyethanoic acidHMDB
Manual XrefsDatabases
CPD-12993MetaCyc
HMDB0041929HMDB
Registry NumbersSources
Reaxys:635800Reaxys
CAS:625-45-6ChemIDplus
CAS:625-45-6NIST Chemistry WebBook
Citations