Marvin  10180716222D          

  9  8  0  0  0  0            999 V2000
    0.4763   -1.0083    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4763   -0.1833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2382    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9526   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3816   -0.1833    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1908    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  7  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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  CHG  2   1   1   6   1
M  END
> <ID>
CHEBI:44667

> <NAME>
L-ornithinium(2+)

> <DEFINITION>
The L-enantiomer of ornithinium(2+).

> <STAR>
3

> <SYNONYM>
ORNITHINE; L-ornithinium(2+); L-ornithine dication

> <IUPAC_NAME>
L-ornithinediium; (1S)-1-carboxybutane-1,4-diaminium

> <FORMULA>
C5H14N2O2

> <MASS>
134.17694

> <MONOISOTOPIC_MASS>
134.10443

> <CHARGE>
2

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

> <INCHI>
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+2/t4-/m0/s1

> <INCHIKEY>
AHLPHDHHMVZTML-BYPYZUCNSA-P

> <GMELIN_REGISTRY_NUMBER>
1068689

> <PDBECHEM_ACCESSION>
ORN_LFOH

> <PUBMED_CITATION>
12297216

$$$$