Ketcher 03032016522D 1   1.00000     0.00000     0

 18 17  0     1  0            999 V2000
   13.5826  -13.8846    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242  -15.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5806  -12.7653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4017  -14.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5927  -14.1839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0522  -13.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8971  -14.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7517  -13.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1977  -14.1444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3477  -13.6539    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   10.8876  -15.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9514  -12.8656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9514  -13.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1015  -14.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1015  -15.3190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2516  -13.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8013  -14.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0376  -15.6327    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  6  9  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
  5  8  1  0     0  0
 10  9  1  0     0  0
  7 11  1  6     0  0
  1  5  1  0     0  0
 13 14  1  0     0  0
 13 12  2  0     0  0
 14 15  1  1     0  0
 14 16  1  0     0  0
 16  4  1  0     0  0
 17 13  1  0     0  0
 11 18  1  0     0  0
M  RGP  2  10   1  18   2
M  END
> <ID>
CHEBI:146248

> <NAME>
lysophosphatidylserine O-18:0

> <STAR>
2

> <SYNONYM>
PS(O-18:0/0:0); PS O-18:0/0:0; LysoPS(O-18:0); LysoPS O-18:0; lysophosphatidylserine(O-18:0); LPS(O-18:0); LPS O-18:0

> <FORMULA>
C24H50NO8P

> <MASS>
511.630

> <MONOISOTOPIC_MASS>
511.32740

> <CHARGE>
0

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

$$$$