Mrv0541 03071411412D          

 18 17  0  0  0  0            999 V2000
   18.2567   -5.6825    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   18.0395   -6.6275    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.2550   -4.7415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9453   -6.0633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4245   -5.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2886   -5.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9989   -5.9147    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7174   -5.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5702   -5.9009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8556   -5.4886    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   15.9909   -6.7396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0888   -4.8258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0888   -5.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3743   -6.0633    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.3743   -6.8883    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   19.6598   -5.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8033   -6.0633    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.2764   -7.1521    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  6  9  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  5  8  1  0  0  0  0
 10  9  1  0  0  0  0
  7 11  1  6  0  0  0
  1  5  1  0  0  0  0
 13 14  1  0  0  0  0
 13 12  2  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16  4  1  0  0  0  0
 17 13  1  0  0  0  0
 11 18  1  0  0  0  0
M  CHG  3   2  -1  15   1  17  -1
M  END
> <ID>
CHEBI:72406

> <NAME>
lysophosphatidylserine 16:1(1-)

> <DEFINITION>
A lysophosphatidylserine(1−) in which the remaining acyl group (position not specified) contains 16 carbons and 1 double bond.

> <STAR>
3

> <SYNONYM>
lysophosphatidylserine(16:1); Lyso-PS(16:1); LPS(16:1); LPS 16:1

> <FORMULA>
C22H41NO9P

> <MASS>
494.5383

> <MONOISOTOPIC_MASS>
494.25189

> <CHARGE>
-1

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

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