Ketcher 12142015082D 1   1.00000     0.00000     0

 19 18  0     1  0            999 V2000
   11.1058  -14.2276    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.2399  -14.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3738  -14.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5077  -14.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6418  -14.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7758  -14.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5077  -15.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1058  -13.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9719  -14.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3646  -15.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8377  -14.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7038  -14.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5698  -14.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5698  -13.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4359  -14.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4359  -13.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6416  -16.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7757  -15.7275    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    7.6416  -17.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  4  7  1  6     0  0
  1  8  2  0     0  0
  1  9  1  0     0  0
  1 10  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 13 15  1  0     0  0
 13 16  1  0     0  0
  7 17  1  0     0  0
 17 18  1  0     0  0
 17 19  2  0     0  0
M  CHG  2  10  -1  13   1
M  RGP  1  18   2
M  END
> <ID>
CHEBI:167119

> <NAME>
oxidized 2-acyl-sn-glycero-3-phosphocholine zwitterion

> <DEFINITION>
Any lysoglycerophosphocholine having an oxidized fatty acyl chain at sn-2. Major species at pH 7.3.

> <STAR>
2

> <SYNONYM>
oxygenated 2-acyl-sn-glycero-3-phosphocholine zwitterion; an oxidized 2-acyl-sn-glycero-3-phosphocholine

> <FORMULA>
C9H19NO7PR

> <MASS>
284.224

> <MONOISOTOPIC_MASS>
284.08991

> <CHARGE>
0

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

$$$$