Ketcher 07081912322D 1   1.00000     0.00000     0

 22 21  0     1  0            999 V2000
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    7.5175   -3.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535   -4.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7889   -3.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7889   -2.7991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2461   -3.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1104   -4.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9255   -4.2969    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0
   11.8390   -4.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9748   -3.7966    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.9745   -2.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4770   -6.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6128   -5.3054    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0
   14.4322   -2.7982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4322   -3.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5679   -4.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5679   -5.2934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7035   -3.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2967   -4.2953    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
  6  1  1  0     0  0
  7  6  1  0     0  0
  4  8  1  0     0  0
  7 10  1  0     0  0
 10  9  1  0     0  0
 10 11  2  0     0  0
 10 12  1  0     0  0
  1 13  1  6     0  0
 14 15  2  0     0  0
 14 16  1  0     0  0
 14 13  1  0     0  0
 18 19  1  0     0  0
 18 17  2  0     0  0
 19 20  1  1     0  0
 19 21  1  0     0  0
 21  9  1  0     0  0
 22 18  1  0     0  0
M  END
> <ID>
CHEBI:141306

> <NAME>
phosphatidylserine 40:1

> <DEFINITION>
A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 40 carbon atoms and 1 double bond.

> <STAR>
3

> <SYNONYM>
PS(40:1); PS 40:1; phosphatidylserine(40:1)

> <FORMULA>
C46H88NO10P

> <MASS>
846.1654

> <MONOISOTOPIC_MASS>
845.61458

> <CHARGE>
0

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

> <PUBMED_CITATION>
24532214; 30050129; 31109325

$$$$