Ketcher 06061811152D 1   1.00000     0.00000     0

 19 18  0     1  0            999 V2000
    8.4186  -11.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5524  -10.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6858  -11.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8194  -10.6074    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    8.9189  -11.9726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9177  -11.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2845  -10.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1508  -11.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8828  -11.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7490  -10.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6150  -11.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4812  -10.6063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9177  -11.9720    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   11.0167  -10.6066    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.0165   -9.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2754  -11.5723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3474  -11.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4810   -9.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3472  -10.1062    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
  1  6  1  6     0  0
  1  5  1  1     0  0
  7  1  1  0     0  0
  8  7  1  0     0  0
 10  9  1  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
  6 13  1  0     0  0
  8 14  1  0     0  0
 14  9  1  0     0  0
 14 15  2  0     0  0
 14 16  1  0     0  0
 12 17  1  0     0  0
 12 18  1  0     0  0
 12 19  1  0     0  0
M  CHG  2  12   1  16  -1
M  RGP  2   4   1  13   2
M  END
> <ID>
CHEBI:140971

> <NAME>
lysophosphatidylcholine 22:5-omega-3

> <DEFINITION>
An acyl-sn-glycero-3-phosphocholine in which the acyl group contains 22 carbons with 5 double bonds, with a final carbon-carbon double bond in the ω−3 position, i.e. the third bond from the methyl end of the fatty acid. If R1 is an acyl group and R2 is a hydrogen then the molecule is a 1-acyl-sn-glycero-3-phosphocholine. If R1 is a hydrogen and R2 is an acyl group then the molecule is a 2-acyl-sn-glycero-3-phosphocholine.

> <STAR>
2

> <SYNONYM>
LPC(22:5-w3); LPC 22:5-w3

> <FORMULA>
C30H52NO7P

> <MASS>
255.206

> <MONOISOTOPIC_MASS>
569.34814

> <CHARGE>
0

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

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