Structure Database (LMSD)

Common Name
THA
Systematic Name
6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoic acid
Synonyms
  • Nisinic acid
  • C24:6n-3,6,9,12,15,18
  • 24:6n3
LM ID
LMFA01030822
Formula
C24H36O2
Exact Mass
Calculate m/z
356.27153
Sum Composition
FA 24:6
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
unclassified Aurelia (#2623399)
Scyphozoa (#6142)
Occurrence of high levels of tetracosahexaenoic acid in the jellyfish Aurelia sp.,
Lipids, 2003
Pubmed ID: 14733367

String Representations

InChiKey (Click to copy)
YHGJECVSSKXFCJ-KUBAVDMBSA-N
InChi (Click to copy)
InChI=1S/C24H36O2/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/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
C(CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

HMDB ID
HMDB0002007
CHEBI ID
77366
PubChem CID
11792612
SwissLipids ID
SLM:000001212
Cayman ID
10005165

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 422.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.33
Molar Refractivity 114.32

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Created at
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Updated at
25th Apr 2022