Structure Database (LMSD)
Common Name
Butyrylcarnitine
Systematic Name
3-(butanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of Butyrylcarnitine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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)
QWYFHHGCZUCMBN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3
SMILES (Click to copy)
O(C(CCC)=O)C(CC([O-])=O)C[N+](C)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
239.74
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
0.12
Molar Refractivity
59.00
Admin
Created at
-
Updated at
25th Apr 2022