LMFA07030020
  LIPID_MAPS_STRUCTURE_DATABASE

 28 27  0     0  0            999 V2000
    5.6963    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8304   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9643    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0982   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2321    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3661   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3661   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0981   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9642    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9643    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8304   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6963    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5624   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4285    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2945   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1606    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0267   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8928    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6963    1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5624   -0.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4285    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2945   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1606    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2945   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0267   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8928   -0.7501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
  1 21  2  0     0  0
  1 22  1  0     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 24 26  1  0     0  0
 27 28  3  0     0  0
 25 27  1  0     0  0
 22 23  1  0     0  0
M  END
> <LM_ID>
LMFA07030020

> <COMMON_NAME>
Type III cyanolipid 20:1(11Z) ester

> <SYSTEMATIC_NAME>
(3-cyano-2-methylprop-2E-en-1-yl) 11Z-eicosenoate

> <FORMULA>
C25H43NO2

> <MASS>
389.33

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Cyano esters [FA0703]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11Z-eicosenoic acid, 3-cyano-2-methyl-2-propen-1-yl ester

> <INCHI_KEY>
JBBKOYLELGEEFC-MMFYCHMTSA-N

> <INCHI>
InChI=1S/C25H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(27)28-23-24(2)21-22-26/h10-11,21H,3-9,12-20,23H2,1-2H3/b11-10-,24-21+

> <SMILES>
C(OC/C(/C)=C/C#N)(=O)CCCCCCCCC/C=C\CCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131841366

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$