LMFA09000007
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  0     0  0            999 V2000
   -0.4307   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2307    0.1790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2986   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1668   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9033   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7715   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6397   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5080   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3762   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2444   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1126   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9809   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8451   -0.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7130   -0.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5772   -0.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4450   -0.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  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
M  END
> <LM_ID>
LMFA09000007

> <COMMON_NAME>
Palmitonitrile

> <SYSTEMATIC_NAME>
Hexadecanenitrile

> <FORMULA>
C16H31N

> <MASS>
237.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty nitriles [FA09]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WGXGAUQEMYSVJM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-15H2,1H3

> <SMILES>
C(CCCCCCCCCCCCCCC)#N

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
69424

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
76761

> <CITATION>
28276609

$$$$