Ketcher 02111611062D 1   1.00000     0.00000     0

 34 33  0     0  0            999 V2000
   11.7375  -10.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6034  -10.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4695  -10.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3355  -10.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2015  -10.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0675  -10.1936    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   16.9336  -10.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7996  -10.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6656  -10.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5316  -10.1936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3976  -10.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0675   -9.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3263  -11.1595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5316   -9.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4695  -11.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3976   -9.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8714  -10.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0053  -10.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1393  -10.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2734  -10.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4073  -10.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4072   -9.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2731   -8.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1393   -9.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0053   -8.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8713   -9.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6751   -9.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6751  -10.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5411   -8.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5411  -10.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430   -9.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430  -10.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8091   -8.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8091  -10.6939    0.0000 C   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  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
  6 12  2  0     0  0
  6 13  1  0     0  0
 10 14  1  0     0  0
  3 15  1  0     0  0
 10 16  1  0     0  0
 18 17  1  0     0  0
  1 17  1  0     0  0
 19 18  1  0     0  0
 20 19  1  0     0  0
 20 21  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 29 27  1  0     0  0
 30 28  1  0     0  0
 22 29  1  0     0  0
 21 30  1  0     0  0
 32 31  1  0     0  0
 33 31  1  0     0  0
 34 32  1  0     0  0
 27 33  1  0     0  0
 28 34  1  0     0  0
M  CHG  2  10   1  13  -1
M  END
> <ID>
CHEBI:91144

> <NAME>
1-octadecylglycero-3-phosphocholine

> <DEFINITION>
A 1-alkylglycero-3-phosphocholine in which the alkyl group is specified as octadecyl.

> <STAR>
3

> <SYNONYM>
lyso-PC (O-18:0/0:0); lyso-PAF C-18

> <IUPAC_NAME>
2-hydroxy-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

> <FORMULA>
C26H56NO6P

> <MASS>
509.701

> <MONOISOTOPIC_MASS>
509.38453

> <CHARGE>
0

> <SMILES>
O(CC(COP(OCC[N+](C)(C)C)(=O)[O-])O)CCCCCCCCCCCCCCCCCC

> <INCHI>
InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3

> <INCHIKEY>
XKBJVQHMEXMFDZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
72490-82-5

> <REAXYS_REGISTRY_NUMBER>
4721672

> <CHEMIDPLUS>
72490-82-5

> <PUBMED_CITATION>
25502724

$$$$