LMFA01090137
  LIPID_MAPS_STRUCTURE_DATABASE

  6  5  0  0  0  0  0  0  0  0999 V2000
    7.1611    6.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    5.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1611    7.1640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4492    5.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7370    5.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0718    5.2475    0.0000 I   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
M  END
> <LM_ID>
LMFA01090137

> <COMMON_NAME>
3-iodo-2E-acrylic acid

> <SYSTEMATIC_NAME>
3-iodo-2E-propenoic acid

> <FORMULA>
C3H3IO2

> <MASS>
197.92

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IBFDLVHJHUMSAC-OWOJBTEDSA-N

> <INCHI>
InChI=1S/C3H3IO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165394

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
638126

> <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

$$$$