LMFA07030004
  LIPID_MAPS_STRUCTURE_DATABASE

 30 29  0     0  0            999 V2000
    6.4948   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6289   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7629   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8969   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0309   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4329   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4329   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1650   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0309   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8969   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7629   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6289   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4948   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4948    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3608   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2269   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0928   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9588   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0928   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2269    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2269    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3608   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2269   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0929   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9589   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8250   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6910   -0.7500    0.0000 C   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  1  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
  1 17  2  0     0  0
  1 18  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 20 22  1  0     0  0
 23 24  3  0     0  0
 19 23  1  0     0  0
 18 19  1  0     0  0
 16 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
M  END
> <LM_ID>
LMFA07030004

> <COMMON_NAME>
Type IV cyanolipid 22:0 ester

> <SYSTEMATIC_NAME>
(1-cyano-2-methylprop-2-en-1-yl) docosanoate

> <FORMULA>
C27H49NO2

> <MASS>
419.38

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Cyano esters [FA0703]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1-docosanoyl-(1-cyano-2-methylprop-2-en-1-ol)

> <INCHI_KEY>
CYKQOYUBZCVPOI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C27H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)30-26(24-28)25(2)3/h26H,2,4-23H2,1,3H3

> <SMILES>
C(OC(C#N)C(C)=C)(=O)CCCCCCCCCCCCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131841350

> <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>
-

$$$$