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CHEBI:36107 - 2-naphthoate

ChEBI IDCHEBI:36107
ChEBI Name2-naphthoate
Stars
DefinitionA naphthoate that is the conjugate base of 2-naphthoic acid.
Secondary ChEBI IDsCHEBI:19724, CHEBI:30902
Last Modified1 September 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC11H7O2
Net Charge-1
Average Mass171.175
Monoisotopic Mass171.04515
SMILESO=C([O-])c1ccc2ccccc2c1
InChIInChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)/p-1
InChIKeyUOBYKYZJUGYBDK-UHFFFAOYSA-M
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
2-naphthoate (CHEBI:36107) has role xenobiotic metabolite (CHEBI:76206)
2-naphthoate (CHEBI:36107) is a naphthoate (CHEBI:25482)
2-naphthoate (CHEBI:36107) is conjugate base of 2-naphthoic acid (CHEBI:36106)
Incoming Relation(s)
1-hydroxy-2-naphthoate (CHEBI:15992) has functional parent 2-naphthoate (CHEBI:36107)
1,4-dihydroxy-2-naphthoate (CHEBI:11173) has functional parent 2-naphthoate (CHEBI:36107)
2-naphthoic acid (CHEBI:36106) is conjugate acid of 2-naphthoate (CHEBI:36107)
IUPAC Name 
naphthalene-2-carboxylate
Synonym  Source
2-naphthoate(1−)ChEBI
Registry NumbersSources
Gmelin:329643Gmelin
Beilstein:3905271Beilstein
Reaxys:3905271Reaxys