Ketcher 03021712252D 1   1.00000     0.00000     0

 23 22  0     1  0            999 V2000
    9.3255   -5.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4612   -5.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5971   -5.7595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7324   -5.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7324   -4.2628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8246   -6.6236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8259   -6.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1897   -5.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0541   -5.7595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9204   -7.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9204   -8.1338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0561   -6.6352    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    5.8682   -5.7612    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   12.7829   -5.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6476   -5.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5120   -5.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3765   -5.2602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9185   -5.2603    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.9183   -4.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1767   -6.2244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2410   -5.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3764   -4.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2409   -4.7611    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
M  CHG  2  17   1  20  -1
M  RGP  2  12   2  13   1
M  END
> <ID>
CHEBI:136379

> <NAME>
1-octadecadienoyl-2-octadecenoyl-sn-glycero-3-phosphocholine

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

> <STAR>
3

> <SYNONYM>
phosphatidylcholine 18:2/18:1; PC(18:2/18:1); 1-octadecadienoyl-2-octadecenoyl-glycero-3-phosphocholine

> <FORMULA>
C44H82NO7P

> <MASS>
768.100

> <MONOISOTOPIC_MASS>
767.58289

> <CHARGE>
0

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

$$$$