Structure Database (LMSD)

Common Name
2E,5Z,8Z,11Z,14Z-eicosapentaenoic acid
Systematic Name
2E,5Z,8Z,11Z,14Z-eicosapentaenoic acid
Synonyms
  • C20:5n-6,9,12,15,18
LM ID
LMFA01030396
Formula
C20H30O2
Exact Mass
Calculate m/z
302.22458
Sum Composition
FA 20:5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
IFPCWRDOHFTYMB-BWGKZPQXSA-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/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-,19-18+
SMILES (Click to copy)
C(/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(=O)O

Other Databases

LIPIDAT ID
3482
CHEBI ID
165460
PubChem CID
5312545

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 356.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.99
Molar Refractivity 95.95

Admin

Created at
-
Updated at
25th Apr 2022