LMFA01030400
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0  0  0  0  0  0  0  0999 V2000
   20.1700    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8868    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1700    6.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4480    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7256    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0032    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2808    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5584    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8360    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1136    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3912    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6688    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9464    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2240    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5016    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0568    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3344    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6120    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8896    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1672    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4448    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7224    5.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    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  2  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  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
M  END
> <LM_ID>
LMFA01030400

> <COMMON_NAME>
Cetelaidic acid 

> <SYSTEMATIC_NAME>
11E-docosenoic acid

> <FORMULA>
C22H42O2

> <MASS>
338.32

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C22:1n-11; Catelaidic acid

> <INCHI_KEY>
KJDZDTDNIULJBE-VAWYXSNFSA-N

> <INCHI>
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11+

> <SMILES>
C(CCCCCCCCC/C=C/CCCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031013

> <CHEBI_ID>
180019

> <ABBREVIATION>
FA 22:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312549

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$