LMFA01090080
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
   10.8107    6.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5315    5.7944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8107    7.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0847    5.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3583    5.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6319    6.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9055    5.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1791    6.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4527    5.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7264    6.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7414    5.2475    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  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
  5 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090080

> <COMMON_NAME>
3-bromo-2E-nonenoic acid

> <SYSTEMATIC_NAME>
3-bromo-2E-nonenoic acid

> <FORMULA>
C9H15BrO2

> <MASS>
234.03

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FSGDUVOQJQYMNR-BQYQJAHWSA-N

> <INCHI>
InChI=1S/C9H15BrO2/c1-2-3-4-5-6-8(10)7-9(11)12/h7H,2-6H2,1H3,(H,11,12)/b8-7+

> <SMILES>
C(/C=C(/Br)\CCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169656

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935815

> <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>
31369

> <CITATION>
11958814

$$$$