LMFA01090078
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    7.3884    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6739    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9595    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3884    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1029    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9595    6.4850    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2450    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  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  3  7  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090078

> <COMMON_NAME>
3,3-dibromoacrylic acid

> <SYSTEMATIC_NAME>
3,3-dibromo-2-propenoic acid

> <FORMULA>
C3H2Br2O2

> <MASS>
227.84

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,3-dibromopropenoic acid

> <INCHI_KEY>
VWWPGQPTCCQNIO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C3H2Br2O2/c4-2(5)1-3(6)7/h1H,(H,6,7)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13250147

> <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>
260499

> <CITATION>
11958814

$$$$