Structure Database (LMSD)
Systematic Name
5Z,8Z,11Z,14Z,17Z,20Z-docosahexaenoic acid
Synonyms
- Docosahexaenoic acid
- C22:6n-2,5,8,11,14,17
- Docosahexaenoate
- 5Z,8Z,11Z,14Z,17Z,20Z-docosahexaenoate
3D model of
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)
GZJLLYHBALOKEX-HJNPUEAESA-N
InChi (Click to copy)
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-3,5-6,8-9,11-12,14-15,17-18H,4,7,10,13,16,19-21H2,1H3,(H,23,24)/b3-2-,6-5-,9-8-,12-11-,15-14-,18-17-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Kamptosoma
(#2567185)
Echinoidea
(#7625)
Fatty Acids of Abyssal Echinodermata, the Sea Star Eremicaster vicinus and the Sea Urchin Kamptosoma abyssale: A New Polyunsaturated Fatty Acid Detected, 22:6(n-2).,
Lipids, 2020
Lipids, 2020
Pubmed ID:
32101331
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
388.26
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.55
Molar Refractivity
105.09
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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Admin
Created at
12th Mar 2020
Updated at
25th Apr 2022