8-azaniumyl-7-oxononanoate
  CDK    2/12/10,15:26

 13 12  0  0  0  0  0  0  0  0999 V2000
    5.4277   -4.7045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1421   -5.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8566   -4.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5711   -5.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2856   -4.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0001   -5.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7146   -4.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4290   -5.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1435   -4.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8580   -5.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1421   -5.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8566   -3.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1435   -3.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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 
  6  5  1  0  0  0  0 
  7  6  1  0  0  0  0 
  8  7  1  0  0  0  0 
  9  8  1  0  0  0  0 
 10  9  1  0  0  0  0 
 11  2  1  0  0  0  0 
 12  3  2  0  0  0  0 
 13  9  2  0  0  0  0 
M  CHG  1   1   1
M  CHG  1  10  -1
M  END
> <ID>
CHEBI:57532

> <NAME>
8-amino-7-oxononanoic acid zwitterion

> <DEFINITION>
Zwitterionic form of 8-amino-7-oxononanoic acid having an anionic carboxy group and a protonated nitrogen.

> <STAR>
3

> <SYNONYM>
8-ammonio-7-oxononanoate; 8-amino-7-oxononanoate

> <IUPAC_NAME>
8-azaniumyl-7-oxononanoate

> <FORMULA>
C9H17NO3

> <MASS>
187.23620

> <MONOISOTOPIC_MASS>
187.12084

> <CHARGE>
0

> <SMILES>
CC([NH3+])C(=O)CCCCCC([O-])=O

> <INCHI>
InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)

> <INCHIKEY>
GUAHPAJOXVYFON-UHFFFAOYSA-N

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