LMFA04000107
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
    8.5503    8.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6083    8.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    8.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    7.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5613    6.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6083    7.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5503    6.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4927    7.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4348    7.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3770    6.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3194    7.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2996    6.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5770    8.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4609    8.7232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5770    7.1922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6865    8.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7957    8.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9049    8.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0141    8.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1233    8.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2325    8.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3416    8.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4508    8.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2  6  1  0  0  0  0
  5 12  2  0  0  0  0
 14 13  1  0  0  0  0
 13 15  2  0  0  0  0
 13 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  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23  1  1  0  0  0  0
M  END
> <LM_ID>
LMFA04000107

> <COMMON_NAME>
C20-OPDA

> <SYSTEMATIC_NAME>
(5Z,8Z)-10-(4-oxo-5-((Z)-pent-2-en-1-yl)cyclopent-2-en-1-yl)deca-5,8-dienoic acid

> <FORMULA>
C20H28O3

> <MASS>
316.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Other Docosanoids [FA0400]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PVDXBMLXXJJATN-CNKLUSGGSA-N

> <INCHI>
InChI=1S/C20H28O3/c1-2-3-9-13-18-17(15-16-19(18)21)12-10-7-5-4-6-8-11-14-20(22)23/h3-4,6-7,9-10,15-18H,2,5,8,11-14H2,1H3,(H,22,23)/b6-4-,9-3-,10-7-/t17-,18-/m0/s1

> <SMILES>
C(/C=C\C/C=C\CCCC(=O)O)[C@@H]1[C@H](C/C=C\CC)C(=O)C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:6;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171116390

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
3197

> <CITATION>
36037336

$$$$