LMFA01090067
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    7.1536    5.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8660    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1536    6.2340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4359    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7180    5.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7180    6.2340    0.0000 Cl  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  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090067

> <COMMON_NAME>
3,3-dichloro-propionic acid

> <SYSTEMATIC_NAME>
3,3-dichloro-propanoic acid

> <FORMULA>
C3H4Cl2O2

> <MASS>
141.96

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HFPLCFMATPQWMD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C3H4Cl2O2/c4-2(5)1-3(6)7/h2H,1H2,(H,6,7)

> <SMILES>
C(CC(Cl)Cl)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169873

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6857373

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
260499

> <CITATION>
11958814

$$$$