LMFA01090089
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   21.5874    6.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5874    7.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7175    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8472    6.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9769    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1066    6.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2363    7.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3660    7.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4957    8.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6254    8.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7551    8.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8848    8.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0145    8.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1442    8.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2737    8.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4035    8.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5332    8.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6630    8.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7927    8.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5332    7.3578    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3576    9.8507    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   22.4511    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3196    6.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22  1  1  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  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  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  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090089

> <COMMON_NAME>
Methyl 16,18-dibromo-15Z,17E-octadecadien-5,7-diynoate

> <SYSTEMATIC_NAME>
Methyl 16,18-dibromo-15Z,17E-octadecadien-5,7-diynoate

> <FORMULA>
C19H24O2Br2

> <MASS>
442.01

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GBWKQJGRPRQCAJ-WUWWXPNFSA-N

> <INCHI>
InChI=1S/C19H24Br2O2/c1-23-19(22)15-13-11-9-7-5-3-2-4-6-8-10-12-14-18(21)16-17-20/h14,16-17H,2,4,6,8,10-13,15H2,1H3/b17-16+,18-14-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935819

> <LIPIDBANK_ID>
-

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

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty esters [FA07]; Octadecanoids [FA02]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Short fatty esters [FA0710]; 

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
1740662

> <CITATION>
11958814

$$$$