LMFA08020121
  LIPID_MAPS_STRUCTURE_DATABASE

 28 27  0  0  0  0  0  0  0  0999 V2000
   19.2867    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4642    5.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9419    6.5865    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3775    7.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9370    7.7795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9857    7.3187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2017    6.1857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4532    7.0882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4871    6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4871    7.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3065    5.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7525    6.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0179    6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2834    6.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5489    6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8143    6.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0798    6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3453    6.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6108    6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8762    6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417    6.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4072    6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6726    6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9381    6.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2036    6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4691    6.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7346    6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.1857    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
  2 11  1  0  0  0  0
  9 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  2  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>
LMFA08020121

> <COMMON_NAME>
N-linoleoyl valine

> <SYSTEMATIC_NAME>
N-(9Z,12Z-octadecadienoyl)-valine

> <FORMULA>
C23H41NO3

> <MASS>
379.31

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OBXMQPZPFUXHDL-FQPCFBMWSA-N

> <INCHI>
InChI=1S/C23H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)24-22(20(2)3)23(26)27/h8-9,11-12,20,22H,4-7,10,13-19H2,1-3H3,(H,24,25)(H,26,27)/b9-8-,12-11-/t22-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165540

> <ABBREVIATION>
NAVal 18:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52922069

> <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

$$$$