Marvin  04031314452D          

 13 12  0  0  0  0            999 V2000
    8.1467   -5.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8612   -5.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5757   -5.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2901   -5.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0045   -5.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7191   -5.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4335   -5.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1480   -5.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8624   -5.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8612   -6.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0045   -4.4557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4335   -4.4557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1480   -6.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
M  END
> <ID>
CHEBI:73089

> <NAME>
4-hydroxy-2-oxoheptanedioic acid

> <DEFINITION>
An oxo dicarboxylic acid consisting of pimelic acid substituted at positions 2 and 4 by oxo and hydroxy groups respectively.

> <STAR>
3

> <SYNONYM>
4-Hydroxy-2-oxoheptanedioic acid; 4-hydroxy-2-ketopimelic acid; 4-Hydroxy-2-ketopimelate; 4-hydroxy-2-ketoheptanedioic acid; 4-hydroxy-2-ketoheptane-1,7-dioic acid; 2-oxo-4-hydroxyhepta-1,7-dioic acid; 2-keto-4-hydroxypimelic acid

> <IUPAC_NAME>
4-hydroxy-2-oxoheptanedioic acid

> <FORMULA>
C7H10O6

> <MASS>
190.15070

> <MONOISOTOPIC_MASS>
190.04774

> <CHARGE>
0

> <SMILES>
OC(CCC(O)=O)CC(=O)C(O)=O

> <INCHI>
InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)

> <INCHIKEY>
HNOAJOYERZTSNK-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C05601

> <METACYC_ACCESSION>
CPD-804

> <PUBMED_CITATION>
17881002

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