Marvin  06111216082D          

 23 22  0  0  1  0            999 V2000
   10.9760  -10.6084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2615  -10.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5473  -10.6084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8325  -10.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8325   -9.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3888  -11.3226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5630  -11.3226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6905  -10.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4051  -10.6084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8339  -10.6084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5483  -10.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2627  -10.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9540  -10.2191    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   16.6918  -10.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9773   -9.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6918   -9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8145  -11.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8145  -12.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1002  -11.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1188  -10.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1195  -10.1959    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.1195   -9.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3331  -10.9928    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  7  1  6  0  0  0
  1  6  1  1  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17  7  1  0  0  0  0
  4 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 10  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
A   19
R2
A   20
R1
M  CHG  2  13   1  23  -1
M  END
> <ID>
CHEBI:64433

> <NAME>
phosphatidylcholine 36:2

> <DEFINITION>
A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at C-1 and C-2 contain 36 carbons in total and 2 double bonds.

> <STAR>
3

> <SYNONYM>
PC(36:2); PC 36:2; GPCho(36:2)

> <FORMULA>
C44H84NO8P

> <MASS>
786.11340

> <MONOISOTOPIC_MASS>
785.59346

> <CHARGE>
0

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

> <PUBMED_CITATION>
19347970

$$$$