LMFA01090016
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0     0  0            999 V2000
   28.1472    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0238    7.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.1472    8.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.2640    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3806    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4971    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6136    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7301    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8466    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9632    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0797    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1962    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3127    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4293    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5458    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6623    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7788    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8954    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0119    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1284    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2449    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3615    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4780    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5945    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7110    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8276    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9441    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7301    6.3606    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  8 29  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090016

> <COMMON_NAME>
6-bromo-5,9-hexacosadienoic acid

> <SYSTEMATIC_NAME>
6-bromo-5,9-hexacosadienoic acid

> <FORMULA>
C26H47O2Br

> <MASS>
470.28

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IIPLCJVYXLOVIW-XHFMNYCASA-N

> <INCHI>
InChI=1S/C26H47BrO2/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/h17-18,23H,2-16,19-22,24H2,1H3,(H,28,29)/b18-17+,25-23-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312949

> <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>
32630

> <CITATION>
-

$$$$