2-oxohexanedioate
  CDK    2/12/10,15:26

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.0124   -3.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7327   -3.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4364   -3.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1568   -3.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8773   -3.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5977   -3.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124   -2.4304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2919   -3.6701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5977   -4.5078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3181   -3.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7327   -4.5078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  8  1  1  0  0  0  0 
  7  1  2  0  0  0  0 
  3  2  1  0  0  0  0 
 11  2  2  0  0  0  0 
  4  3  1  0  0  0  0 
  5  4  1  0  0  0  0 
  6  5  1  0  0  0  0 
 10  6  1  0  0  0  0 
  9  6  2  0  0  0  0 
M  CHG  1   8  -1
M  CHG  1  10  -1
M  END
> <ID>
CHEBI:57499

> <NAME>
2-oxoadipate(2-)

> <DEFINITION>
Dianion of 2-oxoadipic acid arising from deprotonation of both carboxylic acid groups.

> <STAR>
3

> <SYNONYM>
alpha-ketoadipate; 2-oxohexanedioic acid dianion; 2-oxoadipate; 2-ketoadipate; 2-keto-adipate

> <IUPAC_NAME>
2-oxohexanedioate

> <FORMULA>
C6H6O5

> <MASS>
158.10880

> <MONOISOTOPIC_MASS>
158.02262

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)/p-2

> <INCHIKEY>
FGSBNBBHOZHUBO-UHFFFAOYSA-L

> <METACYC_ACCESSION>
2K-ADIPATE

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