EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:79083 - 3-hydroxy-5-methyl-1-naphthoic acid

ChEBI IDCHEBI:79083
ChEBI Name3-hydroxy-5-methyl-1-naphthoic acid
Stars
DefinitionA member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 3 and 5 by hydroxy and methyl groups respectively.
Last Modified11 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC12H10O3
Net Charge0
Average Mass202.209
Monoisotopic Mass202.06299
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)
InChIKeyXHCQZAMDSPGKMT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sahachiroi (ncbitaxon:285525) - PubMed (20485749)
Streptomyces griseofuscus (ncbitaxon:146922) - PubMed (20485749)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-5-methyl-1-naphthoic acid (CHEBI:79083) has role bacterial metabolite (CHEBI:76969)
3-hydroxy-5-methyl-1-naphthoic acid (CHEBI:79083) is a naphthoic acid (CHEBI:25483)
3-hydroxy-5-methyl-1-naphthoic acid (CHEBI:79083) is a naphthols (CHEBI:25392)
3-hydroxy-5-methyl-1-naphthoic acid (CHEBI:79083) is conjugate acid of 3-hydroxy-5-methyl-1-naphthoate (CHEBI:78252)
Incoming Relation(s)
3-hydroxy-5-methyl-1-naphthoate (CHEBI:78252) is conjugate base of 3-hydroxy-5-methyl-1-naphthoic acid (CHEBI:79083)
IUPAC Name 
3-hydroxy-5-methyl-1-naphthoic acid
Synonyms  Source
3-hydroxy-5-methyl-1-naphthalenecarboxylic acidChEBI
3-hydroxy-5-methylnaphthalene-1-carboxylic acidChEBI
Manual XrefsDatabases
CPD-16515MetaCyc
Registry NumbersSources
Reaxys:2805059Reaxys
Citations