Ketcher 08241715592D 1   1.00000     0.00000     0

 20 19  0     1  0            999 V2000
   12.1249   -3.0091    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.2590   -3.5091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3930   -3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5269   -3.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6611   -3.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7952   -3.5091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5269   -4.5090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1249   -2.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9910   -3.5091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3836   -3.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8568   -3.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7227   -3.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5887   -3.0091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5887   -2.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4548   -3.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4548   -2.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9291   -3.0093    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   11.2586   -4.5095    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   10.3925   -5.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3888   -6.0104    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
  6 17  1  0     0  0
 19 18  1  0     0  0
  7 19  1  0     0  0
 19 20  2  0     0  0
M  CHG  2  10  -1  13   1
M  END
> <ID>
CHEBI:136122

> <NAME>
phosphatidylcholine (O-16:1/20:4)

> <DEFINITION>
A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the acyl group contains 20 carbons and 4 double bonds while the alkyl group contains 16 carbons and 1 double bond.

> <STAR>
3

> <SYNONYM>
PC(O-16:1/20:4)

> <FORMULA>
C9H18NO7PR2

> <MASS>
283.216

> <MONOISOTOPIC_MASS>
283.08209

> <CHARGE>
0

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

$$$$