LMGP01050061
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
    9.2831    6.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5711    6.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8589    6.4982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1470    6.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1470    7.7311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6947    5.7862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8715    5.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4350    6.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9953    6.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7074    6.4982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4705    6.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1826    6.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8948    6.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6069    6.0699    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.3191    6.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6069    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3191    5.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7207    6.7863    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.3580    6.1575    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.7207    7.5360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7177    6.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  1  7  1  6  0  0  0
  1  6  1  1  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 11  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 10  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  CHG  2  14   1  19  -1
M  END
> <LM_ID>
LMGP01050061

> <COMMON_NAME>
PC 4:0/0:0

> <SYSTEMATIC_NAME>
1-butyryl-sn-glycero-3-phosphocholine

> <FORMULA>
C12H26NO7P

> <MASS>
327.14

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphocholines [GP01]

> <SUB_CLASS>
Monoacylglycerophosphocholines [GP0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
LPC(4:0)

> <INCHI_KEY>
YOLSCEBOFNSEKU-LLVKDONJSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168614

> <ABBREVIATION>
LPC 4:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000020760

> <PUBCHEM_COMPOUND_ID>
24779485

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$