Mrv0541 11191314322D          

 14 13  0  0  0  0            999 V2000
   20.3803    7.3170    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   21.0947    6.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8092    7.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8104    6.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5249    7.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2393    6.9045    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   27.5249    8.1420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0947    6.0795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5237    6.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2381    7.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9526    6.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6671    7.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3816    6.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0960    7.3170    0.0000 C   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  4  1  0  0  0  0
M  CHG  2   1  -1   6  -1
M  END
> <ID>
CHEBI:76283

> <NAME>
sebacate(2-)

> <DEFINITION>
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of suberic acid; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
sebacate; decanedioate(2-); decanedioate; C10-DCA(2-)

> <IUPAC_NAME>
decanedioate

> <FORMULA>
C10H16O4

> <MASS>
200.23160

> <MONOISOTOPIC_MASS>
200.10596

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)/p-2

> <INCHIKEY>
CXMXRPHRNRROMY-UHFFFAOYSA-L

> <REAXYS_REGISTRY_NUMBER>
3906061

> <METACYC_ACCESSION>
CPD-3623

> <PUBMED_CITATION>
21886157

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