LMGL06010001
  LIPID_MAPS_STRUCTURE_DATABASE

 38 37  0     0  0            999 V2000
    2.5906   -0.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7272    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8634   -0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8636   -0.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7271    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7271    1.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -1.1793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3644   -1.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5906   -0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4605    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3307   -0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2010    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0713   -0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9416    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8119   -0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6822    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5525   -0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4228    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2931   -0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1634    0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0336   -0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140   -1.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0671   -1.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4604    1.1811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3307   -1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8971    0.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7654   -0.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4559    0.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3224   -0.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1876    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -0.3114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9195   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7803   -0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8639   -1.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1864    1.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0517    1.6884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3199    1.6862    0.0000 O   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
  3  9  1  6  0  0  0
  3  8  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  0     0  0
 10 24  1  0     0  0
 11 25  2  0     0  0
 12 26  1  0     0  0
 22 27  1  0     0  0
 27 28  1  0     0  0
  1 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 32 34  1  0     0  0
 32 35  1  0     0  0
 31 36  1  1     0  0
 36 37  2  0     0  0
 36 38  1  0     0  0
M  CHG  2  32   1  38  -1
M  END
> <LM_ID>
LMGL06010001

> <COMMON_NAME>
MDN-0104

> <SYSTEMATIC_NAME>
1-(2,2,4-trimethy-3-oxo-4E-hexadecenoyl-sn-glycero-3-O-(N,N,N-trimethyl)-homoserine

> <FORMULA>
C29H53NO7

> <MASS>
527.38

> <CATEGORY>
Glycerolipids [GL]

> <MAIN_CLASS>
Betaine monoradylglycerols [GL06]

> <SUB_CLASS>
Betaine monoacylglycerols [GL0601]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1-O-[(E)-2',2',4'-trimethyl-3'- oxohexadec-4'-enoyl]glycero-3-O-4''-(N,N,N-trimethyl)-homoserine

> <INCHI_KEY>
NXAYEJXOTSDSHG-ODINOTFKSA-N

> <INCHI>
InChI=1S/C29H53NO7/c1-8-9-10-11-12-13-14-15-16-17-18-23(2)26(32)29(3,4)28(35)37-22-24(31)21-36-20-19-25(27(33)34)30(5,6)7/h18,24-25,31H,8-17,19-22H2,1-7H3/b23-18+/t24-,25-/m0/s1

> <SMILES>
O(CC[C@@H](C([O-])=O)[N+](C)(C)C)C[C@]([H])(O)COC(C(C)(C)C(=O)/C(/C)=C/CCCCCCCCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
118714357

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
565428

> <CITATION>
25215605

$$$$