Ketcher 05142013102D 1   1.00000     0.00000     0

 13 12  0     1  0            999 V2000
    6.6340   -4.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680   -4.3302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6340   -5.8302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -4.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3661   -4.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3661   -3.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2321   -4.3302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0981   -4.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9642   -4.3302    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   10.0981   -5.8302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3661   -5.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2321   -6.3302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -6.3302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  5  4  1  0     0  0
  5  6  1  1     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  8 10  2  0     0  0
  5 11  1  0     0  0
 11 12  2  0     0  0
 11 13  1  0     0  0
M  CHG  1  13  -1
M  END
> <ID>
CHEBI:149735

> <NAME>
N-(fatty acyl)-L-asparagine(1-)

> <DEFINITION>
an N-acyl-L-asparagine where the fatty acyl chain is not specified, major species at pH 7.3.

> <STAR>
2

> <SYNONYM>
N-(fatty acyl)-L-asparaginate; an N-(fatty acyl)-L-asparagine

> <FORMULA>
C5H6N2O4R

> <MASS>
158.112

> <MONOISOTOPIC_MASS>
158.03276

> <CHARGE>
-1

> <SMILES>
C(=O)(N)C[C@]([H])(NC(*)=O)C(=O)[O-]

> <PUBMED_CITATION>
32271712

$$$$