LMFA01090077
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    7.3884    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9595    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6739    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2450    6.0725    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9595    7.3100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6739    5.2475    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.3884    7.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1029    6.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  3  2  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090077

> <COMMON_NAME>
2,3,3-tribromoacrylic acid

> <SYSTEMATIC_NAME>
2,3,3-tribromopropenoic acid

> <FORMULA>
C3HBr3O2

> <MASS>
305.75

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2,3,3-tribromo-2-propenoic acid

> <INCHI_KEY>
UKFXMSBXHCEXIK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C3HBr3O2/c4-1(2(5)6)3(7)8/h(H,7,8)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14227575

> <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

$$$$