Structure Database (LMSD)
Common Name
3-hydroxybutyrylcarnitine
Systematic Name
3-[(3-hydroxybutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
- 3-[(3-hydroxybutanoyl)oxy]-4-(trimethylammonio)butanoate
- beta-hydroxybutyrylcarnitine
3D model of 3-hydroxybutyrylcarnitine
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)
UEFRDQSMQXDWTO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H21NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h8-9,13H,5-7H2,1-4H3
SMILES (Click to copy)
C(C[N+](C)(C)C)(OC(=O)CC(O)C)CC(=O)[O-]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
248.53
Topological Polar Surface Area
86.66
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
-0.63
Molar Refractivity
60.90
Admin
Created at
-
Updated at
25th Apr 2022