Structure Database (LMSD)

Common Name
5,13-docosadienoic acid
Systematic Name
5,13-docosadienoic acid
Synonyms
  • C22:2n-9,17
LM ID
LMFA01030131
Formula
Exact Mass
Calculate m/z
336.30283
Sum Composition
Status
Active

Classification

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)
HVHVBKMJDJLCEQ-RKHHRFTBSA-N
InChi (Click to copy)
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,17-18H,2-8,11-16,19-21H2,1H3,(H,23,24)/b10-9+,18-17+
SMILES (Click to copy)
C(/CCCCCCCC)=C\CCCCCC/C=C/CCCC(=O)O

Other Databases

LIPIDBANK ID
DFA0170
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 398.82
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.44
Molar Refractivity 105.46

Admin

Created at
-
Updated at
25th Apr 2022