LMFA08020113
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0  0  0  0  0  0  0  0999 V2000
   17.9825    5.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5072    6.5515    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.9488    7.2843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.4143    8.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9435    8.5591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0643    8.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1580    6.8559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4266    7.8204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3942    8.1422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5209    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1903    6.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    6.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0536    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3834    6.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7131    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0430    6.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3727    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7024    6.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0322    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3620    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917    6.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0214    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3512    6.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6810    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0108    6.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3406    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6703    6.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3942    7.3743    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 29  1  0  0  0  0
 29  9  2  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  1  0  0  0
 29 12  1  0  0  0  0
 12 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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <LM_ID>
LMFA08020113

> <COMMON_NAME>
N-oleoyl isoleucine

> <SYSTEMATIC_NAME>
N-(9Z-octadecenoyl)-isoleucine

> <FORMULA>
C24H45NO3

> <MASS>
395.34

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TYWACVZIFBZIQZ-BSFUXZNJSA-N

> <INCHI>
InChI=1S/C24H45NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(26)25-23(24(27)28)21(3)5-2/h12-13,21,23H,4-11,14-20H2,1-3H3,(H,25,26)(H,27,28)/b13-12-/t21-,23-/m0/s1

> <SMILES>
C(C)[C@H](C)[C@]([H])(NC(CCCCCCC/C=C\CCCCCCCC)=O)C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
136711

> <ABBREVIATION>
NAIle 18:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52922065

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
10116

> <CITATION>
19584404

$$$$