Structure Database (LMSD)

Common Name
5Z,7E,9E,14Z,17Z-eicosapentaenoic acid
Systematic Name
5Z,7E,9E,14Z,17Z-eicosapentaenoic acid
Synonyms
  • (5Z,7E,9E,14Z,17Z)-Eicosapentaenoic acid
  • C20:5n-3,6,11,13,15
LM ID
LMFA01030760
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 graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ptilota filicina (#153248)
Florideophyceae (#2806)
Two new icosapentaenoic acids from the temperate red seaweed Ptilota filicina J. Agardh.,
Lipids, 1987
Pubmed ID: 3033420

String Representations

InChiKey (Click to copy)
XGTCGDUVXWLURC-FZNBEQTOSA-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/h3-4,6-7,11-16H,2,5,8-10,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,12-11+,14-13+,16-15-
SMILES (Click to copy)
OC(=O)CCC/C=C\C=C\C=C\CCC/C=C\C/C=C\CC

Other Databases

KEGG ID
C12083
CHEBI ID
29457
PubChem CID
5282061

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 356.30
Topological Polar Surface Area 37.30
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