Marvin  08201214342D          

 19 18  0  0  1  0            999 V2000
    7.8032  -18.2431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0889  -17.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3744  -18.2431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2162  -18.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3903  -18.9573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178  -17.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2321  -18.2431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6613  -18.2436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3648  -17.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0794  -18.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7940  -17.8319    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.7943  -17.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5084  -18.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9468  -17.8309    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.9470  -17.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5653  -18.9568    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    5.6581  -17.8337    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   10.1685  -18.6272    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.5082  -17.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  5  1  6  0  0  0
  1  4  1  1  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 11 13  1  0  0  0  0
 14  8  1  0  0  0  0
 14 15  2  0  0  0  0
 16  5  1  0  0  0  0
 14  7  1  0  0  0  0
  3 17  1  0  0  0  0
 14 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  CHG  2  11   1  18  -1
M  RGP  2  16   2  17   1
M  END
> <ID>
CHEBI:67085

> <NAME>
phosphatidylcholine O-44:3

> <DEFINITION>
A glycerophosphocholine that is an alkyl,acyl-sn-glycero-3-phosphocholine in which the alkyl or acyl groups at positions 1 and 2 contain a total of 44 carbons and 3 double bonds.

> <STAR>
3

> <SYNONYM>
phosphatidylcholine(O-44:3); PC(O-44:3); PC O-44:3; GPCho(O-44:3)

> <FORMULA>
C52H100NO7P

> <MASS>
881.72370

> <MONOISOTOPIC_MASS>
881.72374

> <CHARGE>
0

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

$$$$