Structure Database (LMSD)

Common Name
13Z,16Z-docosadienoic acid
Systematic Name
13Z,16Z-docosadienoic acid
Synonyms
  • C22:2n-6,9
LM ID
LMFA01030405
Formula
C22H40O2
Exact Mass
Calculate m/z
336.30283
Sum Composition
FA 22:2
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

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ⓘ 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.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
HVGRZDASOHMCSK-HZJYTTRNSA-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/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\C/C=C\CCCCC)(=O)O

Other Databases

LIPIDAT ID
7621
KEGG ID
C16533
HMDB ID
HMDB0062219
CHEBI ID
75117
PubChem CID
5312554
PlantFA ID
10156
SwissLipids ID
SLM:000001120
Cayman ID
20749

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