LMFA01050390
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    7.1435    6.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7144    6.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    6.0726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    7.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  3  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050390

> <COMMON_NAME>
2-hydroxy-3-methyl-butyric acid

> <SYSTEMATIC_NAME>
2S-hydroxy-3-methyl-butanoic acid

> <FORMULA>
C5H10O3

> <MASS>
118.06

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NGEWQZIDQIYUNV-BYPYZUCNSA-N

> <INCHI>
InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB00407

> <CHEBI_ID>
60631

> <ABBREVIATION>
FA 5:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
853180

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$