LMGL00000147
  LIPID_MAPS_STRUCTURE_DATABASE

 36 35  0     0  0            999 V2000
   22.2130    8.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3504    9.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4876    8.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6251    9.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6251   10.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7116    7.8438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7625    8.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0758    9.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8939    9.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0241    8.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1547    9.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2854    8.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4159    9.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5466    8.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6772    9.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8078    8.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383    9.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0687    8.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1993    9.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3299    8.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6773    8.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8078    9.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9384    8.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5467    9.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4141    8.7029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2815    9.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4141    7.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2815    8.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5487   10.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4169   10.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6824   10.7076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7142    7.8438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4658    9.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5978    8.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7337    9.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8658    8.7199    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  7  1  0  0  0  0
  1 32  1  6  0  0  0
  1  6  1  1  0  0  0
  8  1  1  0  0  0  0
 23  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 24 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 20 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
M  CHG  2  25   1  30  -1
M  END
> <LM_ID>
LMGL06010004

> <COMMON_NAME>
MGTS(18:0/0:0)

> <SYSTEMATIC_NAME>
1-octadecanoyl-sn-glycero-3-O-(N,N,N-trimethyl)-homoserine

> <FORMULA>
C28H55NO6

> <MASS>
501.40

> <CATEGORY>
Glycerolipids [GL]

> <MAIN_CLASS>
Betaine monoradylglycerols [GL06]

> <SUB_CLASS>
Betaine monoacylglycerols [GL0601]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Betaine lipids; MGTS(18:0/0:0)

> <INCHI_KEY>
KXGHEXMEIBRLPG-PMCHYTPCSA-N

> <INCHI>
InChI=1S/C28H55NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(31)35-24-25(30)23-34-22-21-26(28(32)33)29(2,3)4/h25-26,30H,5-24H2,1-4H3/t25-,26?/m0/s1

> <SMILES>
[C@](COCCC(C(=O)[O-])[N+](C)(C)C)([H])(O)COC(CCCCCCCCCCCCCCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
MGTS 18:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120566

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1008953

> <CITATION>
-

$$$$