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CHEBI:89830 - 5-methoxysalicylic acid

ChEBI IDCHEBI:89830
ChEBI Name5-methoxysalicylic acid
Stars
DefinitionA methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5.
Last Modified26 May 2020
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESCOc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKeyIZZIWIAOVZOBLF-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (19309105)
Amycolatopsis sp. (ncbitaxon:37632) - PubMed (31728655) Strain: Poz 14
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
5-methoxysalicylic acid (CHEBI:89830) has role bacterial metabolite (CHEBI:76969)
5-methoxysalicylic acid (CHEBI:89830) has role human urinary metabolite (CHEBI:84087)
5-methoxysalicylic acid (CHEBI:89830) is a methoxysalicylic acid (CHEBI:149777)
IUPAC Name 
2-hydroxy-5-methoxybenzoic acid
Synonyms  Source
5-methoxy-2-hydroxybenzoic acidChemIDplus
6-hydroxy-m-anisic acidChemIDplus
5-MeOSAChEBI
acid5-methoxysalicylicChemIDplus
5-O-methyl gentisic acidChEBI
Manual XrefsDatabases
HMDB0001868HMDB
FDB011959FooDB
5-Methoxysalicylic_acidWikipedia
Registry NumbersSources
Reaxys:2209647Reaxys
CAS:2612-02-4ChemIDplus
Citations