LMFA07030011
  LIPID_MAPS_STRUCTURE_DATABASE

 28 27  0     0  0            999 V2000
    6.6292   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7631   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8971   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0311   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1651   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5670   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2990   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1651   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0311   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0311   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7631   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7631   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6292   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4952   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3612   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2272   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0933   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4952   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3612   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2272   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0933   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2272   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3612    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3612    1.7500    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  2  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
 23 27  1  0     0  0
 22 23  1  0     0  0
M  END
> <LM_ID>
LMFA07030011

> <COMMON_NAME>
Type IV cyanolipid 20:2 ester

> <SYSTEMATIC_NAME>
(1-cyano-2-methylprop-2-en-1-yl) 11Z,14Z-eicosadienoate

> <FORMULA>
C25H41NO2

> <MASS>
387.31

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Cyano esters [FA0703]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(1-cyano-2-methylprop-2-enyl) eicos-11Z,14Z-dienoate

> <INCHI_KEY>
AJPBIUFGQARABL-MURFETPASA-N

> <INCHI>
InChI=1S/C25H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)28-24(22-26)23(2)3/h8-9,11-12,24H,2,4-7,10,13-21H2,1,3H3/b9-8-,12-11-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187717

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131841357

> <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>
-

$$$$