Structure Database (LMSD)
Common Name
Butenylcarnitine
Systematic Name
(3S)-3-[(2E)-but-2-enoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of Butenylcarnitine
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
Filter by species:
ⓘ
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.
Click on an edge to display the reaction(s).
String Representations
InChiKey (Click to copy)
HQDBMDGXEZLSNK-CYNONHLPSA-N
InChi (Click to copy)
InChI=1S/C11H19NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h5-6,9H,7-8H2,1-4H3/b6-5+/t9-/m0/s1
SMILES (Click to copy)
[C@H](C[N+](C)(C)C)(OC(=O)/C=C/C)CC(=O)[O-]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
237.10
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
-0.11
Molar Refractivity
58.91
Admin
Created at
-
Updated at
25th Apr 2022