Structure Database (LMSD)
Common Name
Paullinic acid
Systematic Name
13Z-eicosenoic acid
Synonyms
- C20:1n-7
3D model of Paullinic 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)
URXZXNYJPAJJOQ-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\CCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Pristipomoides filamentosus
(#398258)
Actinopteri
(#186623)
Quantitative Analysis of the Distribution of cis-Eicosenoic Acid Positional Isomers in Marine Fishes from the Indian Ocean.,
J Oleo Sci, 2017
J Oleo Sci, 2017
Pubmed ID:
28100885
Paullinia cupana
(#392747)
Magnoliopsida
(#3398)
Seed oil composition of Paullinia cupana var. sorbilis (Mart.) Ducke.,
Lipids, 2003
Lipids, 2003
Pubmed ID:
14506841
Other Databases
Wikipedia
LIPIDAT ID
3533
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
366.86
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.89
Molar Refractivity
96.32
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
17th May 2022