Structure Database (LMSD)

I O O
Common Name
6-iodo-5-hydroxy-eicosa-8Z,11Z,14Z-trienoic acid gamma lactone
Systematic Name
6-iodo-8Z,11Z,14Z-eicosatrien-5-olide
Synonyms
  • 6-iodo-5-hydroxy-eicosatrienoic acid, delta-lactone
  • IL-delta
LM ID
LMFA03000015
Formula
C20H31O2I
Exact Mass
Calculate m/z
430.136882
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Other Eicosanoids [FA0300]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Carbocyclic fatty acids [FA0114]
Halogenated fatty acids [FA0109]
Fatty esters [FA07]
Lactones [FA0704]

String Representations

InChiKey (Click to copy)
FCRONHVVGUHKJB-QNEBEIHSSA-N
InChi (Click to copy)
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 (Click to copy)
C(/C=C\C/C=C\C/C=C\CCCCC)C(I)C1CCCC(=O)O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bos taurus (#9913)
Mammalia (#40674)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814
Rattus norvegicus (#10116)
Mammalia (#40674)
No citation found

Other Databases

CHEBI ID
185791
PubChem CID
13657056

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 374.50
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.88
Molar Refractivity 107.98

Admin

Created at
-
Updated at
15th May 2024