Structure Database (LMSD)
Common Name
Valerylcarnitine
Systematic Name
(3S)-3-(pentanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Valerylcarnitine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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)
VSNFQQXVMPSASB-JTQLQIEISA-N
InChi (Click to copy)
InChI=1S/C12H23NO4/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1
SMILES (Click to copy)
[C@H](C[N+](C)(C)C)(OC(=O)CCCC)CC(=O)[O-]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
257.04
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
0.51
Molar Refractivity
63.62
Admin
Created at
-
Updated at
25th Apr 2022