LMFA07030008
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
    5.8299   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9639   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0979   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2319   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4999   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0980   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0980   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9640   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8300   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8300   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6959   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5619   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5619   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4279   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2938   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8299    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6959   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5619   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4279   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4279   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2938   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5619    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5619    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  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
 21 25  1  0     0  0
 20 21  1  0     0  0
M  END
> <LM_ID>
LMFA07030008

> <COMMON_NAME>
Type IV cyanolipid 18:3 ester

> <SYSTEMATIC_NAME>
(1-cyano-2-methylprop-2-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>
(1-cyano-2-methylprop-2-enyl) octadec-9Z,12Z,15Z-trienoate

> <INCHI_KEY>
ZQGNQCAFNOTXSF-AGRJPVHOSA-N

> <INCHI>
InChI=1S/C23H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)26-22(20-24)21(2)3/h5-6,8-9,11-12,22H,2,4,7,10,13-19H2,1,3H3/b6-5-,9-8-,12-11-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187674

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131841354

> <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>
-

$$$$