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
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