LMFA01090104
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0  0  0  0  0  0  0  0999 V2000
   11.0038    6.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6187    6.5564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0038    7.5868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2536    6.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5031    6.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7526    6.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    6.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2516    6.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5009    6.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7505    6.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0074    5.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7540    5.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5085    5.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549    5.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0055    5.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7600    5.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5063    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2608    5.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0073    5.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7618    5.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5084    5.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2628    5.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0092    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7465    7.2842    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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  1  0  0  0  0
 11 12  2  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  2  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  8 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090104

> <COMMON_NAME>
6-Bromo-5E,9Z,13Z-docosatrienoic acid

> <SYSTEMATIC_NAME>
6-Bromo-5E,9Z,13Z-docosatrienoic acid

> <FORMULA>
C22H37BrO2

> <MASS>
412.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NAMWJEXZJJYVSY-DONPXYLZSA-N

> <INCHI>
InChI=1S/C22H37BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)19-16-17-20-22(24)25/h9-10,13-14,19H,2-8,11-12,15-18,20H2,1H3,(H,24,25)/b10-9-,14-13-,21-19+

> <SMILES>
C(CCC/C=C(/Br)\CC/C=C\CC/C=C\CCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186479

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935825

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6123

> <CITATION>
11958814

$$$$