LMFA08020116
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0  0  0  0  0  0  0  0999 V2000
   18.4120    6.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8577    7.3220    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3199    8.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8525    8.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9653    8.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0723    6.8968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3392    7.8545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3140    8.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4258    5.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6484    6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9829    7.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3174    6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6519    7.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9864    6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3208    7.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6553    6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9898    7.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3243    7.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6588    6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9931    7.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3276    6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6621    7.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9966    6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3311    7.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656    6.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8911    5.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2962    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3140    7.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27  1  1  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
  3  5  2  0  0  0  0
  2  6  1  6  0  0  0
  2  7  1  1  0  0  0
  6 29  1  0  0  0  0
 29  8  2  0  0  0  0
 27  9  1  0  0  0  0
 29 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 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  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  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
 27 28  1  0  0  0  0
M  END
> <LM_ID>
LMFA08020116

> <COMMON_NAME>
N-oleoyl leucine

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

> <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>
UMOAAMQGRRCHPA-GJCOWUBNSA-N

> <INCHI>
InChI=1S/C24H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-22(24(27)28)20-21(2)3/h11-12,21-22H,4-10,13-20H2,1-3H3,(H,25,26)(H,27,28)/b12-11-/t22-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
136616

> <ABBREVIATION>
NALeu 18:1

> <CAYMAN_ID>
20064

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52922067

> <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

$$$$