Structure Database (LMSD)

O OH
Common Name
5Z,8Z,11E,14Z,17Z-eicosapentaenoic acid
Systematic Name
5Z,8Z,11E,14Z,17Z-eicosapentaenoic acid
Synonyms
LM ID
LMFA01031116
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)
JAZBEHYOTPTENJ-IKHGVYGUSA-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/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9+,13-12-,16-15-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C/C/C=C\C/C=C\CC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Fatty acids, fatty acid analogues and their derivatives,
Nat Prod Rep, 1998

Other Databases

PubChem CID
101408068

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 356.3
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.99
Molar Refractivity 95.95

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