Structure Database (LMSD)

Common Name
Bosseopentaenoic acid
Systematic Name
5Z,8Z,10E,12E,14Z-eicosapenta-enoic acid
Synonyms
LM ID
LMFA01031033
Formula
C20H30O2
Exact Mass
Calculate m/z
302.22458
Sum Composition
FA 20:5
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
Bossiella orbigniana (#48615)
Florideophyceae (#2806)
A new eicosapentaenoic acid formed from arachidonic acid in the coralline red algae Bossiella orbigniana,
Lipids, 1991

String Representations

InChiKey (Click to copy)
QQXWWCIEPUFZQL-JMFSJNRSSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-13,15-16H,2-5,14,17-19H2,1H3,(H,21,22)/b7-6-,9-8+,11-10+,13-12-,16-15-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C=C\C=C\C=C/CCCCC)(=O)O

Other Databases

Wikipedia
Bosseopentaenoic_acid
PubChem CID
21773816

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 356.3
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.99
Molar Refractivity 95.95

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Created at
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Updated at
25th Apr 2022