LMFA04000081
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0  0  0  0  0  0  0  0999 V2000
   16.7652    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0299    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2946    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5593    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8239    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0886    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3533    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6179    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8826    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1473    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4120    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6766    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9413    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2059    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4706    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7353    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2359    6.0533    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.4977    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3452    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6070    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5006    6.4745    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.9215    6.5515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3409    6.4770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5006    7.3220    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
 18 22  1  0  0  0  0
 22  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 23 18  1  0  0  0  0
 18 19  1  0  0  0  0
 23 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA04000081

> <COMMON_NAME>
5-iodo-4-hydroxy-docosa-7Z,10Z,13Z,16Z,19Z-pentaenoic acid delta lactone

> <SYSTEMATIC_NAME>
5-iodo-7Z,10Z,13Z,16Z,19Z-docosapentaen-4-olide

> <FORMULA>
C22H31IO2

> <MASS>
454.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Other Docosanoids [FA0400]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JVGLFGABRWZJME-JLNKQSITSA-N

> <INCHI>
InChI=1S/C22H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22(24)25-21/h3-4,6-7,9-10,12-13,15-16,20-21H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-

> <SMILES>
C(/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C(I)C1CCC(=O)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13870530

> <LIPIDBANK_ID>
-

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

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

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
9913

> <CITATION>
11958814

$$$$