Mrv0541 11141416222D          

 19 18  0  0  0  0            999 V2000
    6.6364   -8.7807    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9219   -8.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -8.7807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0492   -9.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2233   -9.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3508   -8.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0656   -8.7807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4944   -8.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2090   -8.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9235   -8.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6381   -8.3679    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.7799   -8.3681    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    8.7797   -7.5431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9933   -9.1648    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.3527   -8.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6379   -7.5428    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   12.3525   -7.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4929   -8.3692    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    5.3934   -9.4946    0.0000 R#  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
  7 12  1  0  0  0  0
 12  8  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
  3 18  1  0  0  0  0
  5 19  1  0  0  0  0
M  CHG  4  11   1  12   1  14  -1  16  -1
M  RGP  2  18   1  19   2
M  END
> <ID>
CHEBI:72348

> <NAME>
phosphatidylcholine O-40:2

> <DEFINITION>
An alkyl,acyl-sn-glycero-3-phosphocholine in which the alkyl or acyl groups at positions 1 and 2 contain a total of 40 carbons and 2 double bonds.

> <STAR>
3

> <SYNONYM>
phosphatidylcholine(O-40:2); PC(O-40:2); PC O-40:2

> <FORMULA>
C48H94NO7P

> <MASS>
828.2362

> <MONOISOTOPIC_MASS>
827.67679

> <CHARGE>
0

> <SMILES>
C[N+](C)([CH2-])CCO[P+]([O-])(=O)OC[C@@H](CO[*])O[*]

$$$$