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CHEBI:78252 - 3-hydroxy-5-methyl-1-naphthoate

Default Structure
ChEBI IDCHEBI:78252
ChEBI Name3-hydroxy-5-methyl-1-naphthoate
Stars
DefinitionA member of the class of naphthoates that is 1-naphthoate substituted at positions 3 and 5 by hydroxy and methyl groups respectively; major species at pH 7.3.
Last Modified11 November 2014
SubmitterKAX
DownloadsMolfile
FormulaC12H9O3
Net Charge-1
Average Mass201.201
Monoisotopic Mass201.05572
SMILESCc1cccc2c(C(=O)[O-])cc(O)cc12
InChIInChI=1S/C12H10O3/c1-7-3-2-4-9-10(7)5-8(13)6-11(9)12(14)15/h2-6,13H,1H3,(H,14,15)/p-1
InChIKeyXHCQZAMDSPGKMT-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Streptomyces griseofuscus (ncbitaxon:146922) - PubMed (20485749)
Streptomyces sahachiroi (ncbitaxon:285525) - PubMed (20485749)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-5-methyl-1-naphthoate (CHEBI:78252) has role bacterial metabolite (CHEBI:76969)
3-hydroxy-5-methyl-1-naphthoate (CHEBI:78252) is a naphthoate (CHEBI:25482)
3-hydroxy-5-methyl-1-naphthoate (CHEBI:78252) is conjugate base of 3-hydroxy-5-methyl-1-naphthoic acid (CHEBI:79083)
Incoming Relation(s)
3-hydroxy-5-methyl-1-naphthoic acid (CHEBI:79083) is conjugate acid of 3-hydroxy-5-methyl-1-naphthoate (CHEBI:78252)
IUPAC Name 
3-hydroxy-5-methyl-1-naphthoate
Synonym  Source
3-hydroxy-5-methyl-1-naphthalenecarboxylateChEBI
UniProt Name  Source
3-hydroxy-5-methyl-1-naphthoateUniProt
Manual XrefsDatabases
CPD-16515MetaCyc
Citations