LMFA09000025
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0     0  0            999 V2000
   -0.3417    4.1926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3415    4.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3415    4.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8444    3.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8445    3.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3474    2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3474    2.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3474    2.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3475    2.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3475    2.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3476    2.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3476    2.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3477    2.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8506    1.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8506    1.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3536    0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3815    0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3815    0.7242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  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  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  3  0  0  0  0
  3  4  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <LM_ID>
LMFA09000025

> <COMMON_NAME>
Albanitrile F

> <SYSTEMATIC_NAME>
Hexadeca-6,8,10-triynedinitrile

> <FORMULA>
C16H16N2

> <MASS>
236.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty nitriles [FA09]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NUFBVQIZVSDVFZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H16N2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h7-14H2

> <SMILES>
N#CCCCCC#CC#CC#CCCCCC#N

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119204

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2622847

> <CITATION>
31833368

$$$$