LMFA01030889
  LIPID_MAPS_STRUCTURE_DATABASE

 30 29  0     0  0            999 V2000
   28.8076    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6759    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8076    7.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9332    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0583    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1834    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3085    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4337    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5585    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6839    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8088    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9339    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0591    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1841    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3092    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4342    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5595    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6846    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8097    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9348    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0597    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1848    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3099    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4351    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5602    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6853    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8103    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9354    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7288    7.6351    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  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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  8 30  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030889

> <COMMON_NAME>
27:2(5Z,9Z)(6Br)

> <SYSTEMATIC_NAME>
6-bromo-5Z,9Z-heptacosadienoic acid

> <FORMULA>
C27H49O2Br

> <MASS>
484.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HJQVAHVCLKAUFE-TUGVHBDESA-N

> <INCHI>
InChI=1S/C27H49BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)24-21-22-25-27(29)30/h18-19,24H,2-17,20-23,25H2,1H3,(H,29,30)/b19-18-,26-24+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23427513

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Halogenated fatty acids [FA0109]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
666329

> <CITATION>
12798940

$$$$