Ketcher 07151514332D 1   1.00000     0.00000     0

 11 10  0     1  0            999 V2000
   15.7417   -5.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4737   -5.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8757   -6.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6077   -6.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3397   -6.0618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6077   -7.0618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0096   -5.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1436   -6.0618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4737   -4.5617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2776   -5.5618    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   15.7417   -7.5618    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  4  1  0     0  0
  2  5  1  0     0  0
  3  7  1  0     0  0
  4  6  1  1     0  0
  7  8  1  0     0  0
  9  2  2  0     0  0
  8 10  1  0     0  0
  6 11  1  0     0  0
M  RGP  2  10   1  11   2
M  END
> <ID>
CHEBI:86496

> <NAME>
acetyl-L-ornithine

> <DEFINITION>
An N-acetyl-amino acid in which the amino acid specified is L-ornithine. If R1 is the acetyl group and R2 is a hydrogen then the molecule is N5-acetylornithine. If R1 is a hydrogen and R2 is acetyl group then the molecule is N2-acetylornithine.

> <STAR>
3

> <SYNONYM>
acetylornithines; acetylornithine

> <FORMULA>
C7H14N2O3

> <MASS>
174.19774

> <MONOISOTOPIC_MASS>
174.10044

> <CHARGE>
0

> <SMILES>
OC(=O)[C@H](CCCN[*])N[*]

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