Structure Database (LMSD)
Common Name
Hydroxypropionylcarnitine
Systematic Name
(3S)-3-[(3-hydroxypropanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of Hydroxypropionylcarnitine
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)
QJGJXKFJFRSERW-QMMMGPOBSA-N
InChi (Click to copy)
InChI=1S/C10H19NO5/c1-11(2,3)7-8(6-9(13)14)16-10(15)4-5-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
SMILES (Click to copy)
[C@H](C[N+](C)(C)C)(OC(=O)CCO)CC(=O)[O-]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
231.23
Topological Polar Surface Area
86.66
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
-1.02
Molar Refractivity
56.28
Admin
Created at
-
Updated at
25th Apr 2022