Structure Database (LMSD)
Common Name
6E-nonenoic acid
Systematic Name
6E-nonenoic acid
Synonyms
- C9:1n-3
3D model of 6E-nonenoic acid
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
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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String Representations
InChiKey (Click to copy)
ZPSOISAMGWYNQX-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h3-4H,2,5-8H2,1H3,(H,10,11)/b4-3+
SMILES (Click to copy)
C(CCCC/C=C/CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
176.56
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.60
Molar Refractivity
45.53
Admin
Created at
-
Updated at
25th Apr 2022