EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:79082 - 5-methyl-1-naphthoic acid

ChEBI IDCHEBI:79082
ChEBI Name5-methyl-1-naphthoic acid
Stars
DefinitionA member of the class of naphthoic acids that is 1-naphthoic acid substituted at position 5 by a methyl group.
Last Modified11 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC12H10O2
Net Charge0
Average Mass186.210
Monoisotopic Mass186.06808
SMILESCc1cccc2c(C(=O)O)cccc12
InChIInChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyVLEZTIKHFUAVRK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseofuscus (ncbitaxon:146922) - PubMed (20485749)
Streptomyces sahachiroi (ncbitaxon:285525) - 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)
5-methyl-1-naphthoic acid (CHEBI:79082) has role bacterial metabolite (CHEBI:76969)
5-methyl-1-naphthoic acid (CHEBI:79082) is a naphthoic acid (CHEBI:25483)
5-methyl-1-naphthoic acid (CHEBI:79082) is conjugate acid of 5-methyl-1-naphthoate (CHEBI:78251)
Incoming Relation(s)
5-methyl-1-naphthoate (CHEBI:78251) is conjugate base of 5-methyl-1-naphthoic acid (CHEBI:79082)
IUPAC Name 
5-methyl-1-naphthoic acid
Synonym  Source
5-methylnaphthalene-1-carboxylic acidChEBI
Manual XrefsDatabases
CPD-16514MetaCyc
Registry NumbersSources
Reaxys:2362059Reaxys
Citations