Structure Database (LMSD)

O OH
Common Name
5,6-dehydro arachidonic acid
Systematic Name
8Z,11Z,14Z-Eicosatrien-5-ynoic acid
Synonyms
LM ID
LMFA01030695
Formula
C20H30O2
Exact Mass
Calculate m/z
302.22458
Sum Composition
FA 20:5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
GIOQWSLKUVKKAO-QNEBEIHSSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
SMILES (Click to copy)
C(CCCC#CC/C=C\C/C=C\C/C=C\CCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Inhibition of leukotriene biosynthesis by acetylenic analogs.,
Biochem Biophys Res Commun, 1982
Pubmed ID: 6127073

Other Databases

LIPIDAT ID
3518
CHEBI ID
189012
PubChem CID
6443815
Cayman ID
90020

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 356.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.66
Molar Refractivity 94.68

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022