Ketcher 02231615252D 1   1.00000     0.00000     0

 19 18  0     1  0            999 V2000
   11.6210   -4.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7547   -3.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8884   -4.2995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4869   -3.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3533   -4.2995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0854   -4.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9516   -3.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8177   -4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6839   -3.7991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2193   -3.7994    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.2191   -2.7994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4779   -4.7653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6216   -5.2996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7558   -5.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7564   -6.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8894   -5.3008    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   18.5499   -4.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6839   -2.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5499   -3.2991    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
  4  1  1  0     0  0
  5  4  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
  9  8  1  0     0  0
  5 10  1  0     0  0
 10  6  1  0     0  0
 10 11  2  0     0  0
 10 12  1  0     0  0
  1 13  1  6     0  0
 15 14  2  0     0  0
 16 14  1  0     0  0
 13 14  1  0     0  0
  9 17  1  0     0  0
  9 18  1  0     0  0
  9 19  1  0     0  0
M  CHG  2   9   1  12  -1
M  END
> <ID>
CHEBI:91303

> <NAME>
lysophosphatidylcholine(0:0/20:4)

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

> <STAR>
3

> <SYNONYM>
LysoPC(0:0/20:4); LPC(0:0/20:4)

> <FORMULA>
C28H50NO7P

> <MASS>
543.67290

> <MONOISOTOPIC_MASS>
543.33249

> <CHARGE>
0

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

$$$$