Mrv0541 11041315402D          

 20 19  0  0  0  0            999 V2000
    7.8366  -12.3104    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510  -11.8979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2654  -12.3104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9800  -11.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510  -11.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2654  -13.1356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2654  -13.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9799  -14.3731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5509  -14.3731    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   10.6945  -12.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4089  -11.8979    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.1234  -12.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8379  -11.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4089  -11.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1954  -12.6948    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.5524  -12.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2668  -11.8979    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.2668  -11.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9813  -11.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9813  -12.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  5  1  1  0  0  0
  2  3  1  0  0  0  0
  3  6  1  6  0  0  0
  3  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  CHG  2  15  -1  17   1
M  END
> <ID>
CHEBI:72515

> <NAME>
sphingomyelin 34:3

> <DEFINITION>
A sphingomyelin in which the total number of carbons in the sphingoid base and fatty acyl groups is 34 with 3 double bonds.

> <STAR>
3

> <SYNONYM>
sphingomyelin(34:3); SM(34:3); SM 34:3

> <FORMULA>
C39H75N2O6P

> <MASS>
698.53624

> <MONOISOTOPIC_MASS>
698.53627

> <CHARGE>
0

> <SMILES>
C[N+](C)(C)CCOP([O-])(=O)OC[C@H](NC([*])=O)[C@H](O)[*]

$$$$