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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,4-dihydroxy-2-naphthoic acid
ChEBI ID CHEBI:18094
Definition A naphthoic acid that is 2-naphthoic acid substituted by hydroxy groups at positions 1 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:539, CHEBI:18933
Supplier Information
Save molfile Download Molfile
Formula C11H8O4
Net Charge 0
Average Mass 204.17880
Monoisotopic Mass 204.042
InChI InChI=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)
InChIKey VOJUXHHACRXLTD-UHFFFAOYSA-N
SMILES OC(=O)c1cc(O)c2ccccc2c1O
Metabolite of Species Details
Escherichia coli (NCBI:562) See: PubMed
Escherichia coli (NCBI:562) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 naphthoic acid (CHEBI:25483)
1,4-dihydroxy-2-naphthoic acid (CHEBI:18094) is conjugate acid of 1,4-dihydroxy-2-naphthoate (CHEBI:11173)
Incoming 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 Sources
1,4-Dihydroxy-2-naphthalenecarboxylic acid ChemIDplus
1,4-Dihydroxy-2-naphthoic acid KEGG COMPOUND
Database Links Databases
C00000736 KNApSAcK
C03657 KEGG COMPOUND
ECMDB04054 ECMDB
View more database links
Registry Numbers Types Sources
2111226 Reaxys Registry Number Reaxys
2111226 Beilstein Registry Number Beilstein
31519-22-9 CAS Registry Number KEGG COMPOUND
31519-22-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1091286 PubMed citation Europe PMC
23801651 PubMed citation Europe PMC
Last Modified
25 January 2016