LMFA03100021
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0  0  0  0  0  0  0  0999 V2000
   11.3492    7.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0720    7.8984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3492    6.8550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6208    7.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8923    7.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1637    7.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4351    7.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7066    7.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    7.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2970    7.4078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4974    7.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4974    6.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2970    6.5730    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9780    6.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7066    6.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4351    6.0823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1637    6.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8923    6.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6208    6.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3495    6.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0780    6.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2813    8.4701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2813    5.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4351    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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
 10  9  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  2  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
 11 23  2  0  0  0  0
 13 24  2  0  0  0  0
 17 25  1  1  0  0  0
M  END
> <LM_ID>
LMFA03100021

> <COMMON_NAME>
15-epi-15-iso-LGD2

> <SYSTEMATIC_NAME>
(8S,12R)-9,10-seco-9,11-dioxo-15R-hydroxy-5Z,13E-prostadienoic acid

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Levuglandins [FA0310]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(5Z,8S,9R,10E,12R)-9-acetyl-8-formyl-12-hydroxyheptadeca-5,10-dienoic acid

> <INCHI_KEY>
MLLWPVVMXGUOHD-FLLQPNGZSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-3-4-7-11-18(23)13-14-19(16(2)22)17(15-21)10-8-5-6-9-12-20(24)25/h5,8,13-15,17-19,23H,3-4,6-7,9-12H2,1-2H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921921

> <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]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
9606

> <CITATION>
11150730

$$$$