Marvin  03061309502D          

 34 33  0  0  1  0            999 V2000
    5.0283   -9.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0283  -10.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138   -9.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138  -11.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5994   -9.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5994  -10.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4573   -9.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4573  -10.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7428   -9.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7428  -11.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8863   -9.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8863  -10.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1718   -9.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1718  -11.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3153   -9.8751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3153  -10.7001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6008   -9.4626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6008  -11.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7442   -9.8751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0297   -9.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5979   -8.6376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4588   -9.4626    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.1732   -9.8751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8877   -9.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6021   -9.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -9.4626    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.4588   -8.6376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6723  -10.2595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0311   -9.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3167   -8.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0311   -9.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292  -11.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292  -11.9476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7459  -10.7139    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 17 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 20 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 16  1  6  0  0  0
 17 21  1  1  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  2  0  0  0  0
 22 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 16 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  CHG  1  26   1
M  RGP  1  34   1
M  END
> <ID>
CHEBI:62490

> <NAME>
sphingomyelin d18:1(1+)

> <DEFINITION>
A quaternary ammonium ion that is the conjugate acid of sphingomyelin d18:1, obtined by protonation of the anionic phosphate function.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:58216

> <SYNONYM>
sphingomyelins; Sphingomyelin; N-acylsphingosylphosphocholine; N-acyl-sphingosylphosphorylcholines; N-acyl-sphingosylphosphorylcholine; N-acyl-sphingosylphosphocholines; N-acyl-sphingosylphosphocholine; N-acyl-sphing-4-enine-1-phosphocholine

> <FORMULA>
C24H49N2O6PR

> <MASS>
492.630

> <MONOISOTOPIC_MASS>
492.33282

> <CHARGE>
1

> <SMILES>
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(=O)OCC[N+](C)(C)C)NC([*])=O

> <KEGG_COMPOUND_ACCESSION>
C00550

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMSP03010000

> <METACYC_ACCESSION>
Sphingomyelins

> <PUBMED_CITATION>
10951276; 10970788; 12649340; 19443184; 2187537; 8086039; 16341241

$$$$