Ketcher 03071817582D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
    0.0000   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.2857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.2857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  5  7  1  0     0  0
M  CHG  2   6   1   7   1
M  END
> <ID>
CHEBI:58384

> <NAME>
cadaverine(2+)

> <DEFINITION>
An alkane-α,ω-diammonium(2+) ion that is the doubly-charged ammonium ion, arising from protonation of both nitrogens of cadaverine. The major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
pentane-1,5-diaminium; cadaverine

> <IUPAC_NAME>
pentane-1,5-bis(aminium)

> <FORMULA>
C5H16N2

> <MASS>
104.194

> <MONOISOTOPIC_MASS>
104.13025

> <CHARGE>
2

> <SMILES>
C(CC[NH3+])CC[NH3+]

> <INCHI>
InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2/p+2

> <INCHIKEY>
VHRGRCVQAFMJIZ-UHFFFAOYSA-P

> <METACYC_ACCESSION>
CADAVERINE

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