Marvin  04091312232D          

  9  9  0  0  0  0            999 V2000
    4.1433   -6.4519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4288   -6.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578   -6.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578   -5.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4288   -5.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1433   -4.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5722   -7.2766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5722   -6.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2866   -6.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  6  4  2  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
M  END
> <ID>
CHEBI:28747

> <NAME>
picolinic acid

> <DEFINITION>
A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:47159; CHEBI:8201; CHEBI:26128

> <SYNONYM>
PYRIDINE-2-CARBOXYLIC ACID; Picolinic acid; o-pyridinecarboxylic acid; alpha-pyridinecarboxylic acid; alpha-picolinic acid; 2-Pyridinecarboxylic acid; 2-Picolinic acid; 2-carboxypyridine

> <IUPAC_NAME>
pyridine-2-carboxylic acid

> <FORMULA>
C6H5NO2

> <MASS>
123.10940

> <MONOISOTOPIC_MASS>
123.03203

> <CHARGE>
0

> <SMILES>
OC(=O)c1ccccn1

> <INCHI>
InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)

> <INCHIKEY>
SIOXPEMLGUPBBT-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
109595

> <CAS_REGISTRY_NUMBER>
98-98-6

> <GMELIN_REGISTRY_NUMBER>
3318

> <REAXYS_REGISTRY_NUMBER>
109595

> <CHEMIDPLUS>
98-98-6

> <KEGG_COMPOUND_ACCESSION>
C10164

> <KNAPSACK_ACCESSION>
C00002063

> <METACYC_ACCESSION>
PICOLINATE

> <NIST_CHEMISTRY_WEBBOOK>
98-98-6

> <PDBECHEM_ACCESSION>
6PC

> <WIKIPEDIA_ACCESSION>
Picolinic_acid

> <PUBMED_CITATION>
15206716; 15206793; 15290459; 16303883; 23630570; 24119749; 7064867; 7969932

$$$$