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CHEBI:18094 - 1,4-dihydroxy-2-naphthoic acid

ChEBI IDCHEBI:18094
ChEBI Name1,4-dihydroxy-2-naphthoic acid
Stars
DefinitionA naphthoic acid that is 2-naphthoic acid substituted by hydroxy groups at positions 1 and 4.
Secondary ChEBI IDsCHEBI:539, CHEBI:18933
Last Modified13 October 2016
DownloadsMolfile
FormulaC11H8O4
Net Charge0
Average Mass204.181
Monoisotopic Mass204.04226
SMILESO=C(O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
InChIKeyVOJUXHHACRXLTD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562)
- PubMed (1091286)
- PubMed (21988831)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
1,4-dihydroxy-2-naphthoic acid (CHEBI:18094) has functional parent 2-naphthoic acid (CHEBI:36106)
1,4-dihydroxy-2-naphthoic acid (CHEBI:18094) has role Escherichia coli metabolite (CHEBI:76971)
1,4-dihydroxy-2-naphthoic acid (CHEBI:18094) is a dihydroxy monocarboxylic acid (CHEBI:35972)
1,4-dihydroxy-2-naphthoic acid (CHEBI:18094) is a naphthalenediols (CHEBI:23783)
1,4-dihydroxy-2-naphthoic acid (CHEBI:18094) is a naphthohydroquinone (CHEBI:51475)
1,4-dihydroxy-2-naphthoic acid (CHEBI:18094) is a naphthoic acid (CHEBI:25483)
1,4-dihydroxy-2-naphthoic acid (CHEBI:18094) is conjugate acid of 1,4-dihydroxy-2-naphthoate (CHEBI:11173)
Incoming Relation(s)
1,4-dihydroxy-2-naphthoyl-CoA (CHEBI:52668) has functional parent 1,4-dihydroxy-2-naphthoic acid (CHEBI:18094)
1,4-dihydroxy-2-naphthoate (CHEBI:11173) is conjugate base of 1,4-dihydroxy-2-naphthoic acid (CHEBI:18094)
IUPAC Name 
1,4-dihydroxynaphthalene-2-carboxylic acid
Synonyms  Source
1,4-Dihydroxy-2-naphthalenecarboxylic acidChemIDplus
1,4-Dihydroxy-2-naphthoic acidKEGG COMPOUND
Manual XrefsDatabases
C00000736KNApSAcK
C03657KEGG COMPOUND
ECMDB04054ECMDB
Registry NumbersSources
Reaxys:2111226Reaxys
CAS:31519-22-9KEGG COMPOUND
CAS:31519-22-9ChemIDplus
Citations