Structure Database (LMSD)

Common Name
Juniperonic acid
Systematic Name
5Z,11Z,14Z,17Z-eicosatetraenoic acid
Synonyms
  • C20:4n-3,6,9,15
LM ID
LMFA01030394
Formula
C20H32O2
Exact Mass
Calculate m/z
304.24023
Sum Composition
FA 20:4
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
Juniperus rigida (#99809)
Pinopsida (#58019)
cis-5-olefinic unusual fatty acids in seed lipids of gymnospermae and their distribution in triacylglycerols,
Lipids, 1982
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)
JDKIKEYFSJUYJZ-OUJQXAOTSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,16-15-
SMILES (Click to copy)
C(CCC/C=C\CCCC/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

LIPIDAT ID
3495
CHEBI ID
82835
PubChem CID
5312543
PlantFA ID
10145

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 358.94
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.22
Molar Refractivity 96.04

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Created at
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Updated at
25th Apr 2022