Structure Database (LMSD)
Common Name
16:4(4Z,7Z,10Z,13Z)
Systematic Name
4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Synonyms
- C16:4n-3,6,9,12
3D model of 16:4(4Z,7Z,10Z,13Z)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
4(Z),7(Z),10(Z),13(Z)-Hexadecatetraenoic acid is an unusual polyunsaturated fatty acid (PUFA) generated during the synthesis of docosahexaenoic acid-d5 . While the physiological properties of this compound are not known, dietary intake of n-3 long-chain PUFAs provides potential health benefits.1
This information has been provided by Cayman Chemical
References
1. Vaughan, V.C., Hassing, M.R., and Lewandowski, P.A. Marine polyunsaturated fatty acids and cancer therapy. Br. J. Cancer 108(3), 486-492 (2013).
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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References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Callyspongia
(#2606660)
Demospongiae
(#6042)
A new lipid from an Australian marine sponge, Callyspongia sp.,
Lipids, 1997
Lipids, 1997
Pubmed ID:
9208398
String Representations
InChiKey (Click to copy)
IVTCJQZAGWTMBZ-LTKCOYKYSA-N
InChi (Click to copy)
InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10,12-13H,2,5,8,11,14-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-,13-12-
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
289.74
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.66
Molar Refractivity
77.57
Admin
Created at
-
Updated at
25th Apr 2022