LMFA01100054
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    7.1435    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.8251    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7145    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    7.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.0000    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  0  0  0  0
M  END
> <LM_ID>
LMFA01100054

> <COMMON_NAME>
3-amino-isobutanoic acid

> <SYSTEMATIC_NAME>
3-amino-3-methyl-propionic acid

> <FORMULA>
C4H9NO2

> <MASS>
103.06

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Amino fatty acids [FA0110]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QCHPKSFMDHPSNR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)

> <SMILES>
C(=O)(O)C(C)CN

> <KEGG_ID>
C05145

> <HMDB_ID>
HMDB0003911

> <CHEBI_ID>
27389

> <ABBREVIATION>
-

> <CAYMAN_ID>
26537

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
64956

> <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>
-

$$$$