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CHEBI:78251 - 5-methyl-1-naphthoate

ChEBI IDCHEBI:78251
ChEBI Name5-methyl-1-naphthoate
Stars
DefinitionA member of the class of naphthoates that is 1-naphthoate substituted at position 5 by a methyl group; major species at pH 7.3.
Last Modified11 November 2014
SubmitterKAX
DownloadsMolfile
FormulaC12H9O2
Net Charge-1
Average Mass185.202
Monoisotopic Mass185.06080
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)/p-1
InChIKeyVLEZTIKHFUAVRK-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Streptomyces sahachiroi (ncbitaxon:285525) - PubMed (20485749)
Streptomyces griseofuscus (ncbitaxon:146922) - PubMed (20485749)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
5-methyl-1-naphthoate (CHEBI:78251) has role bacterial metabolite (CHEBI:76969)
5-methyl-1-naphthoate (CHEBI:78251) is a naphthoate (CHEBI:25482)
5-methyl-1-naphthoate (CHEBI:78251) is conjugate base of 5-methyl-1-naphthoic acid (CHEBI:79082)
Incoming Relation(s)
5-methyl-1-naphthoic acid (CHEBI:79082) is conjugate acid of 5-methyl-1-naphthoate (CHEBI:78251)
IUPAC Name 
5-methyl-1-naphthoate
Synonym  Source
5-methylnaphthalene-1-carboxylateChEBI
UniProt Name  Source
5-methyl-1-naphthoateUniProt
Manual XrefsDatabases
CPD-16514MetaCyc
Citations