LMFA07030018
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
    4.9643    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5001    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6340   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2320    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0981   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9642    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
   -3.8303   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6963    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
   -8.4285    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2945   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1606    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9643    1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8304   -0.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6964    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4285    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624   -1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2945   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1606   -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  2  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
  1 19  2  0     0  0
  1 20  1  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 22 24  1  0     0  0
 25 26  3  0     0  0
 23 25  1  0     0  0
 20 21  1  0     0  0
M  END
> <LM_ID>
LMFA07030018

> <COMMON_NAME>
Type III cyanolipid 18:3 ester

> <SYSTEMATIC_NAME>
(3-cyano-2-methylprop-2E-en-1-yl) 9Z,12Z,15Z-octadecatrienoate

> <FORMULA>
C23H35NO2

> <MASS>
357.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Cyano esters [FA0703]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Octadec-9Z,12Z,15Z-trienoic acid, 3-cyano-2-methyl-2-propen-1-yl ester

> <INCHI_KEY>
ZDNHCXMAEKVLGG-MPFYFTGJSA-N

> <INCHI>
InChI=1S/C23H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(25)26-21-22(2)19-20-24/h4-5,7-8,10-11,19H,3,6,9,12-18,21H2,1-2H3/b5-4-,8-7-,11-10-,22-19+

> <SMILES>
C(OC/C(/C)=C/C#N)(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187808

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131841364

> <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>
-

$$$$