Structure Database (LMSD)
Common Name
hydroxyisovaleroyl carnitine
Systematic Name
3-hydroxy-3-isovaleryloxy-4-(trimethylammonio)butyrate
Synonyms
3D model of hydroxyisovaleroyl carnitine
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)
DHRNMNHPSWBJEN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H23NO5/c1-9(2)6-11(16)18-12(17,7-10(14)15)8-13(3,4)5/h9,17H,6-8H2,1-5H3
SMILES (Click to copy)
O(C(CC(C)C)=O)C(CC(=O)[O-])(C[N+](C)(C)C)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
265.83
Topological Polar Surface Area
86.66
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
-0.32
Molar Refractivity
64.71
Admin
Created at
-
Updated at
25th Apr 2022