LMFA01050462
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0            999 V2000
    9.5521   -7.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5521   -7.1224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -8.3599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8376   -8.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1232   -7.9475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4087   -8.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6942   -7.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8377   -9.1849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7248   -7.2924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5028   -7.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  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  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  6  0  0  0
  5 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050462

> <COMMON_NAME>
(S)-3-hydroxy-3-methyl-2-oxopentanoic acid

> <SYSTEMATIC_NAME>
(3S)-3-hydroxy-3-methyl-2-oxopentanoic acid

> <FORMULA>
C6H10O4

> <MASS>
146.06

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(S)-3-hydroxy-3-methyl-2-oxovaleric acid

> <INCHI_KEY>
YJVOWRAWFXRESP-LURJTMIESA-N

> <INCHI>
InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
53335

> <ABBREVIATION>
FA 6:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20846129

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]; Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$