Marvin  10040716502D          

 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  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
   -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  0  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  END
> <ID>
CHEBI:30915

> <NAME>
2-oxoglutaric acid

> <DEFINITION>
An oxo dicarboxylic acid that consists of glutaric acid bearing an oxo substituent at position 2. It is an intermediate metabolite in Krebs cycle.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40661; CHEBI:19749; CHEBI:1253

> <SYNONYM>
Oxoglutaric acid; alpha-ketoglutaric acid; alpha-Ketoglutaric acid; 2-Ketoglutaric acid

> <IUPAC_NAME>
2-oxopentanedioic acid

> <FORMULA>
C5H6O5

> <MASS>
146.09810

> <MONOISOTOPIC_MASS>
146.02152

> <CHARGE>
0

> <SMILES>
OC(=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)

> <INCHIKEY>
KPGXRSRHYNQIFN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1705689

> <CAS_REGISTRY_NUMBER>
328-50-7

> <GMELIN_REGISTRY_NUMBER>
602480

> <REAXYS_REGISTRY_NUMBER>
1705689

> <CHEMIDPLUS>
328-50-7

> <DRUGBANK_ACCESSION>
DB02926

> <KEGG_COMPOUND_ACCESSION>
C00026

> <KNAPSACK_ACCESSION>
C00000769

> <METACYC_ACCESSION>
2-KETOGLUTARATE

> <NIST_CHEMISTRY_WEBBOOK>
328-50-7

> <PDBECHEM_ACCESSION>
AKG

> <WIKIPEDIA_ACCESSION>
Alpha-Ketoglutaric_acid

> <PUBMED_CITATION>
17439666; 18990406; 20155414; 20200292; 20583149; 20636327; 21964641

$$$$