Ketcher 01261714192D 1   1.00000     0.00000     0

 16 15  0     0  0            999 V2000
    0.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    0.0000    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -1.0000    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0     0  0
  1  2  1  0     0  0
  7  3  1  0     0  0
  4  3  1  0     0  0
  2  4  1  0     0  0
  5  2  1  0     0  0
  6  5  1  0     0  0
  6 15  1  0     0  0
 13  7  2  0     0  0
 11  7  1  0     0  0
 12  8  1  0     0  0
 14  8  2  0     0  0
  9 15  2  0     0  0
 10 15  1  0     0  0
 15 16  1  0     0  0
M  RGP  2  11   1  12   2
M  END
> <ID>
CHEBI:134288

> <NAME>
phosphatidic acid 18:3

> <DEFINITION>
A phosphatidic acid in which the two acyl groups contain a total of 18 carbons and 3 double bonds.

> <STAR>
3

> <SYNONYM>
phosphatidic acid(18:3); PA(18:3); PA 18:3

> <FORMULA>
C21H35O8P

> <MASS>
226.078

> <MONOISOTOPIC_MASS>
446.20695

> <CHARGE>
0

> <SMILES>
O(C(*)=O)C(COC(=O)*)COP(=O)(O)O

$$$$