Structure Database (LMSD)

Common Name
5,13-docosadienoic acid
Systematic Name
5,13-docosadienoic acid
Synonyms
  • C22:2n-9,17
LM ID
LMFA01030131
Status
Active
Exact Mass
Calculate m/z
336.30283
Formula
C22H40O2
Abbrev
FA 22:2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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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)
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

References

Other Databases

LIPIDBANK ID
DFA0170
PubChem CID
5282806

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

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022