Ketcher 10061714252D 1   1.00000     0.00000     0

 20 19  0     0  0            999 V2000
    6.5511   -2.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6872   -2.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8234   -2.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9589   -2.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9589   -1.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0503   -3.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0517   -3.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4152   -2.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2794   -2.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1465   -4.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1465   -5.1774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2826   -3.6793    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    3.0951   -2.8056    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   10.0075   -2.8035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8719   -2.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7361   -2.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6004   -2.3046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1434   -2.3048    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1432   -1.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4015   -3.2685    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
  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
M  RGP  2  12   2  13   1
M  END
> <ID>
CHEBI:136172

> <NAME>
PE(18:1/20:0)

> <DEFINITION>
A phosphatidylethanolamine 38:1 in which the acyl group at C-1 contains 18 carbons and 1 double bond while that at C-2 contains 20 carbons and no double bonds.

> <STAR>
3

> <FORMULA>
C43H84NO8P

> <MASS>
774.104

> <MONOISOTOPIC_MASS>
773.59346

> <CHARGE>
0

> <SMILES>
[C@](COC(=O)*)(OC(=O)*)([H])COP(OCCN)(=O)O

$$$$