Structure Database (LMSD)
Common Name
Propenoylcarnitine
Systematic Name
(3S)-3-(prop-2-enoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of Propenoylcarnitine
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)
YUCNWOKTRWJLGY-QMMMGPOBSA-N
InChi (Click to copy)
InChI=1S/C10H17NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h5,8H,1,6-7H2,2-4H3/t8-/m0/s1
SMILES (Click to copy)
[C@H](C[N+](C)(C)C)(OC(=O)C=C)CC(=O)[O-]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
219.80
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
-0.50
Molar Refractivity
54.29
Admin
Created at
-
Updated at
25th Apr 2022