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CHEBI:82757 - 2-hydroxy-5-methyl-1-naphthoate

ChEBI IDCHEBI:82757
ChEBI Name2-hydroxy-5-methyl-1-naphthoate
Stars
DefinitionA member of the class of naphthoates that is 1-naphthoate substituted at positions 2 and 5 by hydroxy and methyl groups respectively; major species at pH 7.3.
Last Modified28 October 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H9O3
Net Charge-1
Average Mass201.201
Monoisotopic Mass201.05572
SMILESCc1cccc2c(C(=O)[O-])c(O)ccc12
InChIInChI=1S/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15)/p-1
InChIKeyKKMAZNUSFFWQQY-UHFFFAOYSA-M
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-5-methyl-1-naphthoate (CHEBI:82757) has role bacterial metabolite (CHEBI:76969)
2-hydroxy-5-methyl-1-naphthoate (CHEBI:82757) is a naphthoate (CHEBI:25482)
2-hydroxy-5-methyl-1-naphthoate (CHEBI:82757) is conjugate base of 2-hydroxy-5-methyl-1-naphthoic acid (CHEBI:83434)
Incoming Relation(s)
2-hydroxy-5-methyl-1-naphthoic acid (CHEBI:83434) is conjugate acid of 2-hydroxy-5-methyl-1-naphthoate (CHEBI:82757)
IUPAC Name 
2-hydroxy-5-methyl-1-naphthoate
UniProt Name  Source
2-hydroxy-5-methyl-1-naphthoateUniProt
Manual XrefsDatabases
CPD-16911MetaCyc
Citations