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CHEBI:46837 - dipicolinic acid

ChEBI IDCHEBI:46837
ChEBI Namedipicolinic acid
Stars
DefinitionA pyridinedicarboxylic acid carrying two carboxy groups at positions 2 and 6.
Secondary ChEBI IDsCHEBI:36171, CHEBI:44858
Last Modified4 March 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H5NO4
Net Charge0
Average Mass167.120
Monoisotopic Mass167.02186
SMILESO=C(O)c1cccc(C(=O)O)n1
InChIInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyWJJMNDUMQPNECX-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
dipicolinic acid (CHEBI:46837) has role bacterial metabolite (CHEBI:76969)
dipicolinic acid (CHEBI:46837) is a pyridinedicarboxylic acid (CHEBI:36112)
dipicolinic acid (CHEBI:46837) is conjugate acid of dipicolinate(1−) (CHEBI:46835)
Incoming Relation(s)
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinic acid (CHEBI:67205) has functional parent dipicolinic acid (CHEBI:46837)
2,3,4,5-tetrahydrodipicolinic acid (CHEBI:32976) has functional parent dipicolinic acid (CHEBI:46837)
3-(2-deoxy-5-O-phosphonoribofuranosyl)pyridine-2,6-dicarboxylic acid (CHEBI:42018) has functional parent dipicolinic acid (CHEBI:46837)
dihydrodipicolinic acid (CHEBI:23741) has functional parent dipicolinic acid (CHEBI:46837)
dipicolinate(1−) (CHEBI:46835) is conjugate base of dipicolinic acid (CHEBI:46837)
IUPAC Name 
pyridine-2,6-dicarboxylic acid
Synonyms  Source
PYRIDINE-2,6-DICARBOXYLIC ACIDPDBeChem
2,6-pyridinedicarboxylic acidNIST Chemistry WebBook
Dipicolinic acidChemIDplus
2,6-Dipicolinic acidChemIDplus
2,6-dicarboxypyridineNIST Chemistry WebBook
Manual XrefsDatabases
PDCPDBeChem
DB04267DrugBank
HMDB0033161HMDB
US5298478Patent
Dipicolinic_acidWikipedia
Registry NumbersSources
Gmelin:50798Gmelin
Reaxys:131629Reaxys
CAS:499-83-2NIST Chemistry WebBook
CAS:499-83-2ChemIDplus
Citations