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CHEBI:78281 - 2,7-dihydroxy-5-methyl-1-naphthoate

ChEBI IDCHEBI:78281
ChEBI Name2,7-dihydroxy-5-methyl-1-naphthoate
Stars
DefinitionA member of the class of naphthoates that is 1-naphthoate substituted at positions 2 and 7 by hydroxy groups and at position 5 by a methyl group; major species at pH 7.3.
Last Modified10 July 2014
SubmitterKAX
DownloadsMolfile
FormulaC12H9O4
Net Charge-1
Average Mass217.200
Monoisotopic Mass217.05063
SMILESCc1cc(O)cc2c(C(=O)[O-])c(O)ccc12
InChIInChI=1S/C12H10O4/c1-6-4-7(13)5-9-8(6)2-3-10(14)11(9)12(15)16/h2-5,13-14H,1H3,(H,15,16)/p-1
InChIKeyBLBGRTHACSTGEL-UHFFFAOYSA-M
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2,7-dihydroxy-5-methyl-1-naphthoate (CHEBI:78281) has role bacterial metabolite (CHEBI:76969)
2,7-dihydroxy-5-methyl-1-naphthoate (CHEBI:78281) is a naphthoate (CHEBI:25482)
2,7-dihydroxy-5-methyl-1-naphthoate (CHEBI:78281) is conjugate base of 2,7-dihydroxy-5-methyl-1-naphthoic acid (CHEBI:79122)
Incoming Relation(s)
2,7-dihydroxy-5-methyl-1-naphthoic acid (CHEBI:79122) is conjugate acid of 2,7-dihydroxy-5-methyl-1-naphthoate (CHEBI:78281)
IUPAC Name 
2,7-dihydroxy-5-methyl-1-naphthoate
UniProt Name  Source
2,7-dihydroxy-5-methyl-1-naphthoateUniProt
Manual XrefsDatabases
CPD-16518MetaCyc
Citations