LMFA01090095
  LIPID_MAPS_STRUCTURE_DATABASE

 28 27  0  0  0  0  0  0  0  0999 V2000
   21.6156    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3325    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6156    6.4892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8935    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1711    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4486    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7262    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0037    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2813    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5589    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8365    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1141    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3916    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6692    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9467    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2243    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5019    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7795    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0570    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3346    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6121    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8897    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1673    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4449    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7224    5.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3903    6.2684    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.7224    6.4892    0.0000 C   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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  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 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  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
 25 26  1  0  0  0  0
  8 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090095

> <COMMON_NAME>
6-bromo-23-methyl-tetracosa-5E,9Z-dienoic acid

> <SYSTEMATIC_NAME>
6-bromo-23-methyl-tetracosa-5E,9Z-dienoic acid

> <FORMULA>
C25H45BrO2

> <MASS>
456.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JWANDAJURWLYSL-NDOKMQEHSA-N

> <INCHI>
InChI=1S/C25H45BrO2/c1-23(2)19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-24(26)21-17-18-22-25(27)28/h12,14,21,23H,3-11,13,15-20,22H2,1-2H3,(H,27,28)/b14-12-,24-21+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
141507

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935822

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
2632712

> <CITATION>
11958814

$$$$