LMFA01090105
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0  0  0  0  0  0  0  0999 V2000
   10.9696    7.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5811    6.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9696    7.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237    6.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4775    7.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7312    6.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9850    7.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2387    7.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4924    6.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7463    7.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0075    5.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7496    5.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4999    5.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2422    5.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9884    5.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7385    5.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4808    5.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2310    5.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9732    5.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7234    5.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4657    5.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2158    5.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9580    5.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7367    7.3709    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.6855    5.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6530    5.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3411    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0076    5.6559    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  2  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
  8 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090105

> <COMMON_NAME>
6-Bromo-5E,9Z,13Z,24Z-heptacosatetraenoic acid

> <SYSTEMATIC_NAME>
6-Bromo-5E,9Z,13Z,24Z-heptacosatetraenoic acid

> <FORMULA>
C26H43BrO2

> <MASS>
466.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
REENJHAXVDBJPL-PTVSRFBUSA-N

> <INCHI>
InChI=1S/C26H43BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(27)23-20-21-24-26(28)29/h3-4,13-14,17-18,23H,2,5-12,15-16,19-22,24H2,1H3,(H,28,29)/b4-3-,14-13-,18-17-,25-23+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935826

> <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

$$$$