LMFA07030006
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0     0  0            999 V2000
    5.6958   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660   -0.7500    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
   -0.3660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2319   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0980   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9640   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9639   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8300   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6958   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5619   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4279   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2938   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1598   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5619   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4279   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1598   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4279    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4279    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  1  0     0  0
 15 16  1  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>
LMFA07030006

> <COMMON_NAME>
Type IV cyanolipid 18:1(11Z) ester

> <SYSTEMATIC_NAME>
(1-cyano-2-methylprop-2-en-1-yl) 11Z-octadecenoate

> <FORMULA>
C23H39NO2

> <MASS>
361.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Cyano esters [FA0703]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HGVOWTYDWNIBEC-KTKRTIGZSA-N

> <INCHI>
InChI=1S/C23H39NO2/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/h9-10,22H,2,4-8,11-19H2,1,3H3/b10-9-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131841352

> <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>
-

$$$$