ILE(6:0)
  LIPID_MAPS_12222308342D
Structure generated using tools available at www.lipidmaps.org
 17 16  0  0  0  0  0  0  0  0999 V2000
    0.2043   -1.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7679   -0.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681    0.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682    1.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    1.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3665    1.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6815   -0.0509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3928    0.9852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5019    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5019    1.3309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7827   -1.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5019   -0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219   -0.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9419    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6619   -0.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3819    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1019   -0.0509    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  3  7  1  6  0  0  0
  3  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  1  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <LM_ID>
LMFA0805A481

> <COMMON_NAME>
Ile 6:0

> <SYSTEMATIC_NAME>
N-(hexanoyl)-isoleucine

> <FORMULA>
C12H23NO3

> <MASS>
229.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amino acids [FA0805]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active (generated by computational methods)

> <REFS>
-

$$$$