LMFA08040007
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
    6.6782    8.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6659    8.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6782    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6659    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5212    7.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3767    8.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5212    6.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3767    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3644    8.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3644    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2198    7.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0752    8.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9306    7.7433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2198    6.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0752    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0752    9.2247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7858    8.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6411    7.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4965    8.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0628    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9181    6.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7733    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 13 17  2  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 16 21  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA08040007

> <COMMON_NAME>
Alpha-linolenoyl-EA

> <SYSTEMATIC_NAME>
N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine

> <FORMULA>
C20H35NO2

> <MASS>
321.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl ethanolamines (endocannabinoids) [FA0804]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
N-cis-9,12,15-Octadecatrienoylethanolamine; alpha-Linolenoyl ethanolamide

> <INCHI_KEY>
HBJXRRXWHSHZPU-PDBXOOCHSA-N

> <INCHI>
InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h3-4,6-7,9-10,22H,2,5,8,11-19H2,1H3,(H,21,23)/b4-3-,7-6-,10-9-

> <SMILES>
C(C/C=C\C/C=C\C/C=C\CC)CCCCCC(=O)NCCO

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0013624

> <CHEBI_ID>
89605

> <ABBREVIATION>
NAE 18:3

> <CAYMAN_ID>
90215

> <SWISSLIPIDS_ID>
SLM:000598137

> <PUBCHEM_COMPOUND_ID>
5283449

> <LIPIDBANK_ID>
XPR7007

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630; 9823

> <CITATION>
9057852; 8411021

$$$$