LMFA01090114
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0  0  0  0  0  0  0  0999 V2000
   16.4988    5.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2116    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4988    6.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7809    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0625    5.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3442    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6259    5.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9075    6.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1892    6.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4710    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7526    6.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0343    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3159    6.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8793    6.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1609    6.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6160    6.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8018    7.3051    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2450    6.8489    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  2  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  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090114

> <COMMON_NAME>
14,16-dibromo-7E,13E,15Z-hexadecatrien-5-ynoic acid

> <SYSTEMATIC_NAME>
14,16-dibromo-7E,13E,15Z-hexadecatrien-5-ynoic acid

> <FORMULA>
C16H20Br2O2

> <MASS>
401.98

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VDRFUGQYPWWVGI-FRJBALQRSA-N

> <INCHI>
InChI=1S/C16H20Br2O2/c17-14-13-15(18)11-9-7-5-3-1-2-4-6-8-10-12-16(19)20/h1-2,11,13-14H,3,5,7-10,12H2,(H,19,20)/b2-1+,14-13-,15-11+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54611680

> <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>
2630446

> <CITATION>
11958814

$$$$