Ketcher 11171611152D 1   1.00000     0.00000     0

 31 30  0     1  0            999 V2000
    9.6701   -7.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7350   -7.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6010   -7.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0021   -7.4979    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.4028   -7.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5364   -7.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2692   -7.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8683   -7.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3339   -7.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1357   -7.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4676   -7.4979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0021   -6.4974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4676   -6.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4030   -8.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0021   -8.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3342   -6.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2859   -9.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2859  -10.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1686  -10.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1686  -11.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0513  -12.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0512  -13.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9342  -13.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1197   -8.9687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9679  -14.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1187  -15.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4345  -12.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3174  -12.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3174  -13.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2002  -13.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2276  -14.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0     0  0
 12  4  2  0     0  0
  4 15  1  0     0  0
  5 14  1  6     0  0
  5  6  1  0     0  0
  5  7  1  0     0  0
  2  8  1  0     0  0
  8  4  1  0     0  0
  1  6  1  0     0  0
 10  7  1  0     0  0
  4 10  1  0     0  0
  9 11  1  0     0  0
 11  3  1  0     0  0
 13 11  1  0     0  0
 11 16  1  0     0  0
 18 17  1  0     0  0
 14 17  1  0     0  0
 24 17  2  0     0  0
 19 18  1  0     0  0
 19 20  1  0     0  0
 21 20  1  0     0  0
 21 22  1  0     0  0
 23 22  1  0     0  0
 23 25  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 26  1  0     0  0
 25 26  1  0     0  0
M  CHG  2  11   1  15  -1
M  END
> <ID>
CHEBI:131738

> <NAME>
2-tetradecanoyl-sn-glycero-3-phosphocholine

> <DEFINITION>
A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as tertadecanoyl (myristoyl).

> <STAR>
3

> <SYNONYM>
PC(0:0/14:0); 2-tetradecanoyl-sn-glycero-3-phosphocholine; 2-myristoyl-sn-glycero-3-phosphocholine

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

> <FORMULA>
C22H46NO7P

> <MASS>
467.578

> <MONOISOTOPIC_MASS>
467.30119

> <CHARGE>
0

> <SMILES>
OC[C@@H](OC(CCCCCCCCCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C

> <INCHI>
InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)30-21(19-24)20-29-31(26,27)28-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/t21-/m1/s1

> <INCHIKEY>
IGZPHNNYPPAPLA-OAQYLSRUSA-N

> <REAXYS_REGISTRY_NUMBER>
9670780

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMGP01050073

> <PUBMED_CITATION>
21510612; 26860358

$$$$