LMFA01100038
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    9.2870    5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    7.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  2  7  2  0  0  0  0
  6  8  3  0  0  0  0
  3  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01100038

> <COMMON_NAME>
2-amino-4-cyano-butanoic acid

> <SYSTEMATIC_NAME>
2-amino-4-cyano-butanoic acid

> <FORMULA>
C5H8N2O2

> <MASS>
128.06

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Amino fatty acids [FA0110]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-Amino-4-cyanobutanoic acid

> <INCHI_KEY>
VZSTVUJXUYNIOQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C5H8N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)

> <SMILES>
OC(=O)C(N)CCC#N

> <KEGG_ID>
C05717

> <HMDB_ID>
-

> <CHEBI_ID>
27578

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
440770

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$