LMFA01020274
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    6.3889    5.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6963    6.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0816    6.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3889    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6963    7.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7779    5.9598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0816    7.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
M  END
> <LM_ID>
LMFA01020274

> <COMMON_NAME>
3-methyl-2-oxo-butanoic acid

> <SYSTEMATIC_NAME>
3-methyl-2-oxo-butanoic acid

> <FORMULA>
C5H8O3

> <MASS>
116.05

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QHKABHOOEWYVLI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)

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

> <KEGG_ID>
C00141

> <HMDB_ID>
HMDB0000019

> <CHEBI_ID>
16530

> <ABBREVIATION>
FA 5:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
49

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$