LMFA01030891
  LIPID_MAPS_STRUCTURE_DATABASE

 32 31  0  0  0  0  0  0  0  0999 V2000
   24.3154    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000    5.2363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3154    6.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6260    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9361    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2462    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5564    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8665    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1766    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4869    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7970    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1071    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4173    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7274    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0375    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3477    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6579    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9680    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2782    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5883    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8985    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2086    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5188    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8290    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1391    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4492    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7594    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0695    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3797    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6899    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3409    6.2111    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  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
 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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
  8 32  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030891

> <COMMON_NAME>
29:2(5Z,9Z)(6Br)

> <SYSTEMATIC_NAME>
6-bromo-5Z,9Z-nonacosadienoic acid

> <FORMULA>
C29H53BrO2

> <MASS>
512.32

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AJFIACYWSVIDBM-PIIMCJBESA-N

> <INCHI>
InChI=1S/C29H53BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(30)26-23-24-27-29(31)32/h20-21,26H,2-19,22-25,27H2,1H3,(H,31,32)/b21-20-,28-26+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921846

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Halogenated fatty acids [FA0109]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
666329

> <CITATION>
12798940

$$$$