LMFA01030526
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0  0  0  0  0  0  0  0999 V2000
   20.9758    6.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8463    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9758    7.3684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0987    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2213    6.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3440    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4665    6.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5892    7.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7118    7.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8344    7.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9571    7.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0796    7.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2023    7.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3248    7.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4475    6.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5702    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6927    6.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8154    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9379    6.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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  3  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  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030526

> <COMMON_NAME>
5,12-octadecadiynoic acid

> <SYSTEMATIC_NAME>
5,12-octadecadiynoic acid

> <FORMULA>
C18H28O2

> <MASS>
276.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5,12-Octadecadiynoic acid

> <INCHI_KEY>
BUXCSJDWVXTDJU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-12,15-17H2,1H3,(H,19,20)

> <SMILES>
C(CCCC#CCCCCCC#CCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312656

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$