Structure Database (LMSD)
Common Name
Sciadonic acid
Systematic Name
5Z,11Z,14Z-eicosatrienoic acid
Synonyms
- C20:3n-6,9,15
- Calthic acid
- Sciadopinolenic acid
3D model of Sciadonic acid
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)
PRHHYVQTPBEDFE-URZBRJKDSA-N
InChi (Click to copy)
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11-14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,16-15-
SMILES (Click to copy)
C(CCC/C=C\CCCC/C=C\C/C=C\CCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Sciadopitys verticillata
(#28979)
Pinopsida
(#58019)
Positional distribution of Δ5‐olefinic acids in triacylglycerols from conifer seed oils: General and specific enrichment in the sn‐3 position,
J Am Oil Chem Soc, 1997
J Am Oil Chem Soc, 1997
Mus musculus
(#10090)
Mammalia
(#40674)
Obesity resistance and deregulation of lipogenesis in Δ6-fatty acid desaturase (FADS2) deficiency.,
EMBO Rep, 2014
EMBO Rep, 2014
Pubmed ID:
24378641
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
361.58
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.44
Molar Refractivity
96.13
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
-
Updated at
25th Apr 2022