EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:27440 - 3-methoxyanthranilic acid

Default Structure
ChEBI IDCHEBI:27440
ChEBI Name3-methoxyanthranilic acid
Stars
DefinitionAn aminobenzoic acid that is anthranilic acid in which the hydrogen at position 3 is substituted by a methoxy group. It is a metabolite of kynurenine.
Secondary ChEBI IDCHEBI:1578
Last Modified16 July 2015
DownloadsMolfile
FormulaC8H9NO3
Net Charge0
Average Mass167.164
Monoisotopic Mass167.05824
SMILESCOc1cccc(C(=O)O)c1N
InChIInChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKeySXOPCLUOUFQBJV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - PubMed (9660093)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
3-methoxyanthranilic acid (CHEBI:27440) has functional parent anthranilic acid (CHEBI:30754)
3-methoxyanthranilic acid (CHEBI:27440) has role mammalian metabolite (CHEBI:75768)
3-methoxyanthranilic acid (CHEBI:27440) is a aminobenzoic acid (CHEBI:22495)
3-methoxyanthranilic acid (CHEBI:27440) is a benzoic acids (CHEBI:22723)
3-methoxyanthranilic acid (CHEBI:27440) is conjugate acid of 3-methoxyanthranilate (CHEBI:20109)
Incoming Relation(s)
3-methoxyanthranilate (CHEBI:20109) is conjugate base of 3-methoxyanthranilic acid (CHEBI:27440)
IUPAC Name 
2-amino-3-methoxybenzoic acid
Synonym  Source
3-Methoxyanthranilic acidKEGG COMPOUND
Manual XrefsDatabases
C05831KEGG COMPOUND
Registry NumbersSources
Reaxys:1450812Reaxys
Citations