Ketcher 02231710502D 1   1.00000     0.00000     0

 23 22  0     1  0            999 V2000
    6.5534   -2.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6891   -2.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8251   -2.8048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603   -2.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603   -1.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0527   -3.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0539   -3.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4178   -2.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2824   -2.8048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1484   -4.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1484   -5.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2842   -3.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0969   -2.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0112   -2.8045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8758   -2.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7404   -2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6049   -2.3054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1468   -2.3057    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1465   -1.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4049   -3.2696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4694   -2.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6048   -1.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4693   -1.8064    0.0000 C   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  2  0     0  0
  1  7  1  6     0  0
  1  6  1  1     0  0
  8  1  1  0     0  0
  9  8  1  0     0  0
 10 11  2  0     0  0
 10 12  1  0     0  0
 10  7  1  0     0  0
  4 13  1  0     0  0
 15 14  1  0     0  0
 16 15  1  0     0  0
 17 16  1  0     0  0
  9 18  1  0     0  0
 18 14  1  0     0  0
 18 19  2  0     0  0
 18 20  1  0     0  0
 17 21  1  0     0  0
 17 22  1  0     0  0
 17 23  1  0     0  0
A   12
R2
A   13
R1
M  CHG  2  17   1  20  -1
M  END
> <ID>
CHEBI:136071

> <NAME>
phosphatidylcholine (18:1/18:2)

> <DEFINITION>
A phosphatidylcholine 36:3 in which the fatty acyl groups at positions 1 and 2 are specified as C18:1 and C18:2 respectively.

> <STAR>
3

> <SYNONYM>
PC(18:1/18:2)

> <FORMULA>
C44H82NO8P

> <MASS>
784.099

> <MONOISOTOPIC_MASS>
783.57781

> <CHARGE>
0

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

$$$$