Structure Database (LMSD)

Common Name
4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z-octacosaoctaenoic acid
Systematic Name
4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z-octacosaoctaenoic acid
Synonyms
  • C28:8n-3,6,9,12,15,18,21,24
LM ID
LMFA01030811
Formula
C28H40O2
Exact Mass
Calculate m/z
408.30283
Sum Composition
FA 28:8
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

String Representations

InChiKey (Click to copy)
SOQKXJABGLKWQX-QNEHAWMZSA-N
InChi (Click to copy)
InChI=1S/C28H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24-25H,2,5,8,11,14,17,20,23,26-27H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-,22-21-,25-24-
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

CHEBI ID
188064
PubChem CID
52921798

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 486.78
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.44
Molar Refractivity 132.60

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Created at
-
Updated at
25th Apr 2022