24779498
  CDK     0910211423

 21 20  0  0  0  0  0  0  0  0999 V2000
    5.2224   -0.7235    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.1360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -0.3110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   -0.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -0.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -1.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    0.9265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949    0.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.7235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659   -0.3110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6515   -0.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094   -0.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7949   -0.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2239   -0.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383   -0.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  5  1  0  0  0  0 
  1  6  2  0  0  0  0 
  2 14  1  0  0  0  0 
  3 16  1  0  0  0  0 
 15  4  1  1  0  0  0 
  4 19  1  0  0  0  0 
  7 17  1  0  0  0  0 
  8 19  2  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 14  1  0  0  0  0 
 15 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 18 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  CHG  1   5  -1
M  CHG  1   9   1
M  END
> <ID>
CHEBI:178400

> <NAME>
PC(0:0/4:0)

> <STAR>
2

> <IUPAC_NAME>
[(2R)-2-butanoyloxy-3-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

> <FORMULA>
C12H26NO7P

> <MASS>
327.314

> <MONOISOTOPIC_MASS>
327.14469

> <CHARGE>
0

> <SMILES>
P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC)CO)([O-])=O

> <INCHI>
InChI=1S/C12H26NO7P/c1-5-6-12(15)20-11(9-14)10-19-21(16,17)18-8-7-13(2,3)4/h11,14H,5-10H2,1-4H3/t11-/m1/s1

> <INCHIKEY>
AXIALKQETDKBNO-LLVKDONJSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMGP01050089

$$$$