LMFA03000015
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
   17.5393    7.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6564    8.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7735    8.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8904    7.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0074    8.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1244    8.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2414    7.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3584    8.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4755    8.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5925    7.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7096    8.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8267    7.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9436    8.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3055    7.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3055    6.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1867    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0679    6.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4224    8.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0679    7.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9491    8.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1867    8.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4224    9.4101    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
 15 19  1  0  0  0  0
 19  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 22 15  1  0  0  0  0
 15 16  1  0  0  0  0
 22 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
> <LM_ID>
LMFA03000015

> <COMMON_NAME>
6-iodo-5-hydroxy-eicosa-8Z,11Z,14Z-trienoic acid gamma lactone

> <SYSTEMATIC_NAME>
6-iodo-8Z,11Z,14Z-eicosatrien-5-olide

> <FORMULA>
C20H31O2I

> <MASS>
430.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Other Eicosanoids [FA0300]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6-iodo-5-hydroxy-eicosatrienoic acid, delta-lactone; IL-delta

> <INCHI_KEY>
FCRONHVVGUHKJB-QNEBEIHSSA-N

> <INCHI>
InChI=1S/C20H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19-16-14-17-20(22)23-19/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-

> <SMILES>
C(/C=C\C/C=C\C/C=C\CCCCC)C(I)C1CCCC(=O)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185791

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13657056

> <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 esters [FA07]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Halogenated fatty acids [FA0109]; Lactones [FA0704]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
10116; 9913

> <CITATION>
7410405; 11958814

$$$$