LMFA01090138
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    7.1676    6.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1676    7.1699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4534    5.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7391    5.9421    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
    7.8765    5.9421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854    6.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2943    5.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090138

> <COMMON_NAME>
Ethyl 3-iodo-2E-acrylate

> <SYSTEMATIC_NAME>
Ethyl 3-iodo-2E-propenoate

> <FORMULA>
C5H7IO2

> <MASS>
225.95

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AELYFQSZXFFNGP-ONEGZZNKSA-N

> <INCHI>
InChI=1S/C5H7IO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187432

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
639791

> <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

$$$$