LMFA01050408
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.8580    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4289    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.0726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    7.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4849    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
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  2  7  1  1  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050408

> <COMMON_NAME>
hydroxy-isocaproic acid

> <SYSTEMATIC_NAME>
2S-hydroxy-4-methyl-pentanoic acid

> <FORMULA>
C6H12O3

> <MASS>
132.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LVRFTAZAXQPQHI-YFKPBYRVSA-N

> <INCHI>
InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0000746

> <CHEBI_ID>
44510

> <ABBREVIATION>
FA 6:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
83697

> <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>
-

$$$$