PDC

PYRIDINE-2,6-DICARBOXYLIC ACID

Created: 1999-07-08
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count17
Aromatic Bond Count6
2D diagram of PDC
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Chemical Component Summary

NamePYRIDINE-2,6-DICARBOXYLIC ACID
SynonymsDIPICOLINIC ACID
Systematic Name (OpenEye OEToolkits)pyridine-2,6-dicarboxylic acid
FormulaC7 H5 N O4
Molecular Weight167.119
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)c1nc(C(=O)O)ccc1
SMILESCACTVS3.341OC(=O)c1cccc(n1)C(O)=O
SMILESOpenEye OEToolkits1.5.0c1cc(nc(c1)C(=O)O)C(=O)O
Canonical SMILESCACTVS3.341 OC(=O)c1cccc(n1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(nc(c1)C(=O)O)C(=O)O
InChIInChI1.03 InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyInChI1.03 WJJMNDUMQPNECX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04267 
NameDipicolinic acid
Groups experimental
Synonyms
  • Dipicolinic acid
  • 2,6-dicarboxypyridine
  • 2,6-pyridinedicarboxylic acid
  • 2,6-Dipicolinic acid
  • Sodium dipicolinate
Categories
  • Chelating Agents
  • Compounds used in a research, industrial, or household setting
  • Enzyme Inhibitors
  • Procollagen-Proline Dioxygenase, antagonists & inhibitors
  • Pyridines
CAS number499-83-2

Drug Targets

NameTarget SequencePharmacological ActionActions
4-hydroxy-tetrahydrodipicolinate reductaseMHDANIRVAIAGAGGRMGRQLIQAALALEGVQLGAALEREGSSLLGSDAG...unknown
4-hydroxy-tetrahydrodipicolinate reductaseMRVGVLGAKGKVGATMVRAVAAADDLTLSAELDAGDPLSLLTDGNTEVVI...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 10367
ChEMBL CHEMBL284104
ChEBI CHEBI:46837
CCDC/CSD AWORIO, IDIFIK03, MEBYOK, GOGDAI, GIVQUY, IJOBOY01, IJOBOY02, IDIFIK, IJOBOY03, IDIFIK01, IDIFIK02, AFEBUI, IJOBOY, BUJWIN, CAHCIA, CAHCOG, HEVQEF, MELYEI01, IMENAR, MOTSUM01, GAKDII, MOTSUM, DIPICA10, ADOGIJ, KASYOT, MELYEI, FEYYUE, ECUMUL, IBAWIV
COD 4501323, 7202619, 7203215, 2209889, 4501325