Ketcher 02031609452D 1   1.00000     0.00000     0

 19 18  0     0  0            999 V2000
    4.4201   -0.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5564    0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6926   -0.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8282    0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8282    1.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4208   -1.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2841    0.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1482   -0.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5157   -1.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5157   -2.8331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520   -1.3352    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    0.9645   -0.3276    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    7.8761   -0.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7405    0.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6046   -0.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4687    0.1733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0121    0.1730    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.0119    1.1707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2703   -0.7906    0.0000 O   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
  7  1  1  0     0  0
  8  7  1  0     0  0
  9 10  2  0     0  0
  9 11  1  0     0  0
  9  6  1  0     0  0
  4 12  1  0     0  0
 14 13  1  0     0  0
 15 14  1  0     0  0
 16 15  1  0     0  0
  8 17  1  0     0  0
 17 13  1  0     0  0
 17 18  2  0     0  0
 17 19  1  0     0  0
  1  6  1  6     0  0
M  CHG  2  16   1  19  -1
M  END
> <ID>
CHEBI:91060

> <NAME>
phosphatidylethanolamine 20:5 zwitterion

> <DEFINITION>
A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at C-1 and C-2 contain 20 carbons in total with 5 double bonds.

> <STAR>
3

> <SYNONYM>
phosphatidylethanolamine(20:5) zwitterion; PE(20:5) zwitterion; PE 20:5 zwitterion

> <FORMULA>
C25H40NO8P

> <MASS>
593.4057

> <MONOISOTOPIC_MASS>
513.24915

> <CHARGE>
0

> <SMILES>
[C@@H](COC(=O)*)(COP(OCC[NH3+])(=O)[O-])OC(=O)*

$$$$