LMFA01030399
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   23.7961    6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6760    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7961    7.6825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9097    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0229    6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1361    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2493    6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3625    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4757    6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5890    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7022    6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8154    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9286    6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0418    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1550    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2682    6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3814    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4946    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6079    6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7211    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8343    6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9475    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.8688    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  1  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  1  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  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
M  END
> <LM_ID>
LMFA01030399

> <COMMON_NAME>
12Z,15Z-heneicosadienoic acid

> <SYSTEMATIC_NAME>
12Z,15Z-heneicosadienoic acid

> <FORMULA>
C21H38O2

> <MASS>
322.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C21:2n-6,9

> <INCHI_KEY>
TZOLQRQTGDCGPQ-HZJYTTRNSA-N

> <INCHI>
InChI=1S/C21H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h6-7,9-10H,2-5,8,11-20H2,1H3,(H,22,23)/b7-6-,10-9-

> <SMILES>
C(CCCCCCCCCC/C=C\C/C=C\CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187490

> <ABBREVIATION>
FA 21:2

> <CAYMAN_ID>
22594

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312548

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
157699

> <CITATION>
18458974

$$$$