LMFA01090107
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0  0  0  0  0  0  0  0999 V2000
   20.8707    7.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5866    6.9007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8707    8.1406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1497    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4282    7.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7068    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9854    6.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2640    6.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5425    5.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8212    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0998    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3783    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9355    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2141    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4926    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7713    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0499    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3285    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6070    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8856    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1642    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4429    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2464    6.4873    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  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  2  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  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  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
 20 26  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090107

> <COMMON_NAME>
18-bromo-8E,17E,19Z-tricosatrien-4,6-diynoic acid

> <SYSTEMATIC_NAME>
18-bromo-8E,17E,19Z-tricosatrien-4,6-diynoic acid

> <FORMULA>
C23H31BrO2

> <MASS>
418.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PCGVSAVRGNUUGL-BSFLTSGKSA-N

> <INCHI>
InChI=1S/C23H31BrO2/c1-2-3-16-19-22(24)20-17-14-12-10-8-6-4-5-7-9-11-13-15-18-21-23(25)26/h5,7,16,19-20H,2-4,6,8,10,12,14,17-18,21H2,1H3,(H,25,26)/b7-5+,19-16-,22-20+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935828

> <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>
1161168

> <CITATION>
11958814

$$$$