LMFA01031177
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   -0.4332   -0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4332   -0.7503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4332    0.7503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3060   -0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793   -0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0525   -0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9257   -0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7989   -0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6721   -0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5455   -0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4187   -0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2919   -0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1650   -0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0382   -0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9115   -0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7847   -0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6579   -0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5311   -0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4043   -0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2776   -0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1508   -0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0240   -0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8972   -0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7704   -0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7989    0.7503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
  8 25  1  6     0  0
M  END
> <LM_ID>
LMFA01031177

> <COMMON_NAME>
Pantheric Acid A

> <SYSTEMATIC_NAME>
6S-hydroxy-2E,4Z-docosadienoic acid

> <FORMULA>
C22H40O3

> <MASS>
352.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KKPWDPXWIUPCGB-XUQULAACSA-N

> <INCHI>
InChI=1S/C22H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)19-16-17-20-22(24)25/h16-17,19-21,23H,2-15,18H2,1H3,(H,24,25)/b19-16-,20-17+/t21-/m0/s1

> <SMILES>
C(/C=C/C=C\[C@@H](O)CCCCCCCCCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
145721311

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
67721

> <CITATION>
31724396

$$$$