LMFA01030344
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   21.2978    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1871    6.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2978    7.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4019    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5055    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6091    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7129    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8166    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9203    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0239    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1277    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2313    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3351    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4387    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5423    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6461    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7498    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8535    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  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  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030344

> <COMMON_NAME>
Pinolenic acid

> <SYSTEMATIC_NAME>
5Z,9Z,12Z-octadecatrienoic acid

> <FORMULA>
C18H30O2

> <MASS>
278.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C18:3n-6,9,13

> <INCHI_KEY>
HXQHFNIKBKZGRP-URPRIDOGSA-N

> <INCHI>
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6-,10-9-,14-13-

> <SMILES>
C(CCC/C=C\CC/C=C\C/C=C\CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
86136

> <ABBREVIATION>
FA 18:3

> <CAYMAN_ID>
10008654

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312495

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
145993; 3337; 3055

> <CITATION>
17805745

$$$$