Ketcher 11191515162D 1   1.00000     0.00000     0

 22 21  0     1  0            999 V2000
   11.1824   -6.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3163   -7.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9144   -6.7788    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.5124   -7.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3785   -6.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6465   -6.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1106   -6.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0484   -7.2788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5843   -7.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2445   -7.2788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7804   -7.2788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9767   -7.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4502   -6.7788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3784   -8.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1103   -5.7787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9142   -5.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4502   -5.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3784   -9.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5123   -8.2787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2444   -8.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9144   -7.7787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5842   -6.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
 16  3  2  0     0  0
  3 21  1  0     0  0
  4 19  1  1     0  0
  4  5  1  0     0  0
  4  6  1  0     0  0
 15  7  2  0     0  0
  1  8  1  0     0  0
  8  3  1  0     0  0
  7 10  1  0     0  0
 10  5  1  0     0  0
 11  6  1  0     0  0
  3 11  1  0     0  0
 12  7  1  0     0  0
  9 13  1  0     0  0
 13  2  1  0     0  0
 17 13  1  0     0  0
 13 22  1  0     0  0
 14 19  1  0     0  0
 20 14  1  0     0  0
 18 14  2  0     0  0
A   12
R1
A   20
R2
M  CHG  2  13   1  21  -1
M  END
> <ID>
CHEBI:90460

> <NAME>
phosphatidylcholine (18:0/20:2)

> <DEFINITION>
A 1,2-diacyl-sn-glycero-3-phosphocholine in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 2 double bonds.

> <STAR>
3

> <SYNONYM>
phosphatidylcholine 18:0/20:2; PC(18:0/20:2); PC 18:0/20:2

> <FORMULA>
C10H18NO8P

> <MASS>
311.226

> <MONOISOTOPIC_MASS>
311.07700

> <CHARGE>
0

> <SMILES>
C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(*)=O)COC(=O)*

$$$$