LMFA01020275
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.1471    6.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4288    6.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8616    6.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7106    6.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4251    7.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    6.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    7.3153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4761    0.0000 C   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  6  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020275

> <COMMON_NAME>
3S-methyl-2-oxo-pentanoic acid

> <SYSTEMATIC_NAME>
3S-methyl-2-oxo-pentanoic acid

> <FORMULA>
C6H10O3

> <MASS>
130.06

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JVQYSWDUAOAHFM-BYPYZUCNSA-N

> <INCHI>
InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1

> <SMILES>
C(=O)(C(=O)O)[C@@H](C)CC

> <KEGG_ID>
C00671

> <HMDB_ID>
HMDB00491

> <CHEBI_ID>
15614

> <ABBREVIATION>
FA 6:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
439286

> <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>
-

$$$$