LMFA01060166
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    8.0844    5.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8496    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0844    6.3970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3135    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5424    5.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7712    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5424    6.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  6  7  2  0  0  0  0
  5  8  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060166

> <COMMON_NAME>
3-oxo-4-pentenoic acid

> <SYSTEMATIC_NAME>
3-oxo-4-pentenoic acid

> <FORMULA>
C5H6O3

> <MASS>
114.03

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-Pentenoic acid, 3-oxo-

> <INCHI_KEY>
KSSFGJUSMXZBDD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C5H6O3/c1-2-4(6)3-5(7)8/h2H,1,3H2,(H,7,8)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137761

> <ABBREVIATION>
FA 5:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312944

> <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>
-

> <CITATION>
-

$$$$