LMFA01030693
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   19.0054    5.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7368    5.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0054    6.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2686    5.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5315    5.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7943    5.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0572    5.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3200    5.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5829    5.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8457    5.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1086    5.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3714    5.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6343    5.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8972    5.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1600    6.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4229    5.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6857    5.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9486    6.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2114    5.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4743    6.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7371    5.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3463    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030693

> <COMMON_NAME>
5Z,8Z,14Z-Eicosatrien-11-ynoic acid

> <SYSTEMATIC_NAME>
5Z,8Z,14Z-Eicosatrien-11-ynoic acid

> <FORMULA>
C20H30O2

> <MASS>
302.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Acetylenic acids

> <INCHI_KEY>
VGCBBIXUNNBXPC-IJJPYCETSA-N

> <INCHI>
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,13-12-,16-15-

> <SMILES>
C(CCC/C=C\C/C=C\CC#CC/C=C\CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184172

> <ABBREVIATION>
FA 20:5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9543605

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$