Ketcher 09191914192D 1   1.00000     0.00000     0

  8  7  0     0  0            999 V2000
    9.3377   -4.7322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3377   -5.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4717   -6.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6057   -5.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7397   -6.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8736   -5.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0076   -6.2322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2037   -6.2322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  2  3  1  0     0  0
  5  6  1  0     0  0
  1  2  2  0     0  0
  6  7  1  0     0  0
  2  8  1  0     0  0
M  CHG  1   7   1
M  END
> <ID>
CHEBI:144896

> <NAME>
5-ammoniopentanal

> <DEFINITION>
An ammonium ion derivative that is the conjugate acid of 5-aminopentanal, obtained by protonation of the amino group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
5-ammoniopentanal cation; 5-aminopentanal

> <IUPAC_NAME>
5-oxopentan-1-aminium

> <FORMULA>
C5H12NO

> <MASS>
102.156

> <MONOISOTOPIC_MASS>
102.09134

> <CHARGE>
1

> <SMILES>
O=C(CCCC[NH3+])[H]

> <INCHI>
InChI=1S/C5H11NO/c6-4-2-1-3-5-7/h5H,1-4,6H2/p+1

> <INCHIKEY>
SZBGXBOFCGNPEU-UHFFFAOYSA-O

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