LMFA01100047
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.8715    6.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5840    6.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8715    7.3041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1539    6.0701    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4360    6.4814    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7180    6.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1539    5.2475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4360    7.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  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  1  1  0  0  0
  5  9  1  6  0  0  0
M  END
> <LM_ID>
LMFA01100047

> <COMMON_NAME>
2S-Amino-3S-methylpentanoic acid

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

> <FORMULA>
C6H13NO2

> <MASS>
131.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Amino fatty acids [FA0110]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AGPKZVBTJJNPAG-WHFBIAKZSA-N

> <INCHI>
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1

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

> <KEGG_ID>
C00407

> <HMDB_ID>
HMDB0000172

> <CHEBI_ID>
17191

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6306

> <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>
-

$$$$