Structure Database (LMSD)
Common Name
O-hexanoyl-R-carnitine
Systematic Name
O-hexanoyl-R-carnitine
Synonyms
3D model of O-hexanoyl-R-carnitine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
VVPRQWTYSNDTEA-LLVKDONJSA-N
InChi (Click to copy)
InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1
SMILES (Click to copy)
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
274.34
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
0.90
Molar Refractivity
68.23
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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Admin
Created at
-
Updated at
25th Apr 2022