LMFA01090113
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0  0  0  0  0  0  0  0999 V2000
   16.7426    5.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4605    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7426    6.2434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0195    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2960    5.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5726    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8491    5.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1256    5.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4022    6.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6788    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9553    6.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2317    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5084    6.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7849    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0614    6.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3380    6.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6145    7.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8911    7.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2450    6.6065    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  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  3  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090113

> <COMMON_NAME>
16-bromo-7E,11E,15Z-hexadecatrien-5,13-diynoic acid

> <SYSTEMATIC_NAME>
16-bromo-7E,11E,15Z-hexadecatrien-5,13-diynoic acid

> <FORMULA>
C16H17BrO2

> <MASS>
320.04

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZCXZAAWYVFPLMM-RIYGMYGFSA-N

> <INCHI>
InChI=1S/C16H17BrO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h2,4-5,7,13,15H,1,3,10,12,14H2,(H,18,19)/b4-2+,7-5+,15-13-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13846146

> <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>
2627677

> <CITATION>
11958814

$$$$