Structure Database (LMSD)
Common Name
4Z-heptenoic acid
Systematic Name
4Z-heptenoic acid
Synonyms
- C7:1n-3
3D model of 4Z-heptenoic 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)
KFXPOIKSDYRVKS-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)/b4-3-
SMILES (Click to copy)
C(CC/C=C\CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
141.96
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.82
Molar Refractivity
36.30
Admin
Created at
-
Updated at
25th Apr 2022