Structure Database (LMSD)
Common Name
16Z-eicosenoic acid
Systematic Name
16Z-eicosenoic acid
Synonyms
3D model of 16Z-eicosenoic 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)
NSGWRVBQRUTMPS-PLNGDYQASA-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/h4-5H,2-3,6-19H2,1H3,(H,21,22)/b5-4-
SMILES (Click to copy)
C(CCCCCCCCCCCCCC/C=C\CCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Trikentrion
(#484443)
Demospongiae
(#6042)
Fatty acids, fatty acid analogues and their derivatives,
Nat Prod Rep, 1998
Nat Prod Rep, 1998
DOI:
10.1039/A815607Y
Other Databases
PubChem CID
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
37.3
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
25th Apr 2022