Structure Database (LMSD)
Common Name
2-Hexenoylcarnitine
Systematic Name
3-[(2E)-hex-2-enoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of 2-Hexenoylcarnitine
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)
JUAQYRSUSCWTQK-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C13H23NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3/b8-7+
SMILES (Click to copy)
C(C[N+](C)(C)C)(OC(=O)/C=C/CCC)CC(=O)[O-]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
271.70
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
0.67
Molar Refractivity
68.14
Admin
Created at
-
Updated at
25th Apr 2022