LMFA08020462
  LIPID_MAPS_STRUCTURE_DATABASE

 33 33  0  0  0  0  0  0  0  0999 V2000
   16.6205   -6.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4944   -6.7889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6205   -5.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7402   -6.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8595   -6.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9789   -6.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0981   -6.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2174   -6.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3368   -6.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4561   -6.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5755   -6.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948   -6.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8141   -6.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9333   -6.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527   -6.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1720   -6.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2913   -6.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4106   -6.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5300   -6.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493   -6.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3606   -6.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2267   -6.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0928   -6.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9588   -6.7887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6891   -6.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8253   -6.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6898   -7.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9595   -7.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8288   -8.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5566   -8.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8333   -9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5583   -9.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4218   -7.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  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
  2 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 26 24  2  0     0  0
 24 28  1  0     0  0
 28 29  2  0     0  0
 29 27  1  0     0  0
 27 25  2  0     0  0
 25 26  1  0     0  0
 27 30  1  0     0  0
 29 31  1  0     0  0
 30 32  2  0     0  0
 30 33  1  0     0  0
M  CHG  1  24   1
M  END
> <LM_ID>
LMFA08020462

> <COMMON_NAME>
Termitomycamide C

> <SYSTEMATIC_NAME>
3-methyl-1-[3-[(octadeca-9Z,12Z-dienoyl)amino]propyl]pyridin-1-ium-4-carboxylic acid

> <FORMULA>
C28H45N2O3

> <MASS>
457.34

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OKMBSTLKRRSPTR-NQLNTKRDSA-O

> <INCHI>
InChI=1S/C28H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27(31)29-21-18-22-30-23-20-26(28(32)33)25(2)24-30/h7-8,10-11,20,23-24H,3-6,9,12-19,21-22H2,1-2H3,(H-,29,31,32,33)/p+1/b8-7-,11-10-

> <SMILES>
C(CCCCCCC/C=C\C/C=C\CCCCC)(=O)NCCC[N+]1C=C(C)C(C(O)=O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
49844329

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
201775

> <CITATION>
20936815

$$$$