LMFA01030987
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0            999 V2000
   11.9908   -5.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5631   -5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8486   -5.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2776   -5.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1342   -5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7052   -5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9921   -5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4197   -5.5633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7052   -6.8009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9921   -6.8009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7066   -5.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
> <LM_ID>
LMFA01030987

> <COMMON_NAME>
5-Acetamidovalerate

> <SYSTEMATIC_NAME>
5-acetamidopentanoic acid

> <FORMULA>
C7H13NO3

> <MASS>
159.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TZZSWAXSIGWXOS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H13NO3/c1-6(9)8-5-3-2-4-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)

> <SMILES>
CC(NCCCCC(=O)O)=O

> <KEGG_ID>
C03087

> <HMDB_ID>
HMDB0012175

> <CHEBI_ID>
2024

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
439903

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$