Structure Database (LMSD)

Common Name
6Z,9Z,12Z,15Z,18Z-heneicosapentaenoic acid
Systematic Name
6Z,9Z,12Z,15Z,18Z-heneicosapentaenoic acid
Synonyms
  • C21:5n-3,6,9,12,15
LM ID
LMFA01030823
Formula
C21H32O2
Exact Mass
Calculate m/z
316.24023
Sum Composition
FA 21:5
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
Phoca groenlandica (#39089)
Mammalia (#40674)
The 6,9,12,15,18-heneicosapentaenoic acid of seal oil.,
Lipids, 1978
Pubmed ID: 27519995

String Representations

InChiKey (Click to copy)
OQOCQFSPEWCSDO-JLNKQSITSA-N
InChi (Click to copy)
InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-20H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

CHEBI ID
165480
PubChem CID
11998573
Cayman ID
10670

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 373.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.38
Molar Refractivity 100.56

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Created at
-
Updated at
25th Apr 2022