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
3D model of THA
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
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
Lipids, 2003
Pubmed ID:
14733367
Other Databases
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
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
Reactions
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Admin
Created at
-
Updated at
25th Apr 2022