LMFA01090140
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    7.2356    6.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2356    7.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5124    5.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0824    5.2475    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    5.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7893    5.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0718    6.2394    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  6  2  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090140

> <COMMON_NAME>
3,3-diiodoacrylic acid

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

> <FORMULA>
C3H2I2O2

> <MASS>
323.81

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PMILBWLQIZVIJU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C3H2I2O2/c4-2(5)1-3(6)7/h1H,(H,6,7)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
176854

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5325139

> <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

$$$$