LMFA01090120
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   18.0425    5.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7554    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0425    6.4822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3245    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6061    5.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8877    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1693    5.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4509    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7325    6.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0143    6.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2959    7.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5775    6.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8591    7.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1407    6.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4223    7.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7039    6.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9856    7.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2672    6.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5488    7.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2832    8.0030    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8305    7.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2450    6.7199    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  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  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 21  2  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090120

> <COMMON_NAME>
18,18-dibromo-9E,17-octadecadien-5,7-diynoic acid

> <SYSTEMATIC_NAME>
18,18-dibromo-9E,17-octadecadien-5,7-diynoic acid

> <FORMULA>
C18H22Br2O2

> <MASS>
428.00

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BMEOSHPPYQPJIM-OWOJBTEDSA-N

> <INCHI>
InChI=1S/C18H22Br2O2/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2,15H,3,5,7,9,11-14,16H2,(H,21,22)/b2-1+

> <SMILES>
C(CCCC#CC#C/C=C/CCCCCC/C=C(\Br)/Br)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13846143

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Octadecanoids [FA02]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; 

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
178552

> <CITATION>
11958814

$$$$