Marvin  03220819052D          

 10  9  0  0  0  0            999 V2000
    1.4289    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2475    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4289    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433   -0.2475    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
  6  1  1  0  0  0  0
  2  1  1  0  0  0  0
 10  2  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
M  CHG  2   6  -1   9  -1
M  END
> <ID>
CHEBI:16810

> <NAME>
2-oxoglutarate(2-)

> <DEFINITION>
An oxo dicarboxylate obtained by deprotonation of both carboxy groups of 2-oxoglutaric acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11638; CHEBI:19748

> <SYNONYM>
alpha-ketoglutarate; 2-oxopentanedioic acid, ion(2-); 2-oxoglutarate; 2-ketoglutarate

> <IUPAC_NAME>
2-oxopentanedioate

> <FORMULA>
C5H4O5

> <MASS>
144.08226

> <MONOISOTOPIC_MASS>
144.00697

> <CHARGE>
-2

> <SMILES>
[O-]C(=O)CCC(=O)C([O-])=O

> <INCHI>
InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-2

> <INCHIKEY>
KPGXRSRHYNQIFN-UHFFFAOYSA-L

> <BEILSTEIN_REGISTRY_NUMBER>
3664503

> <CAS_REGISTRY_NUMBER>
64-15-3

> <GMELIN_REGISTRY_NUMBER>
602479

> <REAXYS_REGISTRY_NUMBER>
3664503

> <CHEMIDPLUS>
64-15-3

> <KEGG_COMPOUND_ACCESSION>
C00026

> <METACYC_ACCESSION>
2-KETOGLUTARATE

> <PUBMED_CITATION>
11913971; 15612731; 17190852; 19376872; 21184277; 21196226; 21791173; 24828042

$$$$