Structure Database (LMSD)

Common Name
Lynenic acid
Systematic Name
10Z,13Z,16Z,19Z-docosatetraenoic acid
Synonyms
LM ID
LMFA01031304
Formula
C22H36O2
Exact Mass
Calculate m/z
332.27153
Sum Composition
FA 22:4
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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Ozone-enabled fatty acid discovery reveals unexpected diversity in the human lipidome.,
Nat Commun, 2023
Pubmed ID: 37402773

String Representations

InChiKey (Click to copy)
IGFLWIHPPADNDL-LTKCOYKYSA-N
InChi (Click to copy)
InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13H,2,5,8,11,14-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-
SMILES (Click to copy)
C(CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

CHEBI ID
197291
PubChem CID
12054540

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 393.54
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.00
Molar Refractivity 105.27

Admin

Created at
14th Jul 2023
Updated at
14th Jul 2023