Structure Database (LMSD)

Common Name
5Z-docosenoic acid
Systematic Name
5Z-docosenoic acid
Synonyms
  • C22:1n-17
LM ID
LMFA01030404
Formula
C22H42O2
Exact Mass
Calculate m/z
338.31848
Sum Composition
FA 22:1
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)
RFCSPHPIGYWVCG-ZCXUNETKSA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h17-18H,2-16,19-21H2,1H3,(H,23,24)/b18-17-
SMILES (Click to copy)
C(CCC/C=C\CCCCCCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
3241
CHEBI ID
180036
PubChem CID
5312553
PlantFA ID
10456

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 401.46
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.67
Molar Refractivity 105.56

Admin

Created at
-
Updated at
25th Apr 2022