LMFA01020401
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0     0  0            999 V2000
   -0.4318   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318   -0.7478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4318    0.7478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3017   -0.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0422   -0.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3017   -1.7450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719    0.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  4  8  1  1     0  0
  5  9  1  6     0  0
M  END
> <LM_ID>
LMFA01020401

> <COMMON_NAME>
L-Isoleucic acid

> <SYSTEMATIC_NAME>
2S-hydroxy-3S-methylpentanoic acid

> <FORMULA>
C6H12O3

> <MASS>
132.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-OH,3-Me 5:0; (2S,3S)-2-Hydroxy-3-methylpentanoic acid

> <INCHI_KEY>
RILPIWOPNGRASR-WHFBIAKZSA-N

> <INCHI>
InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187422

> <ABBREVIATION>
FA 6:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
854025

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$