Structure Database (LMSD)
Common Name
Acetyl-D-carnitine
Systematic Name
(3S)-3-acetoxy-4-(trimethylammonio)butyrate
Synonyms
3D model of Acetyl-D-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)
RDHQFKQIGNGIED-QMMMGPOBSA-N
InChi (Click to copy)
InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m0/s1
SMILES (Click to copy)
O(C(C)=O)[C@@H](CC(=O)[O-])C[N+](C)(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
205.14
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
-0.66
Molar Refractivity
49.77
Reactions
Filter by species:
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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.
Click on an edge to display the reaction(s).
![Reactions graph legend](https://lipidmaps.org/assets/images/reactions/Legend_LMSD.png)
Admin
Created at
-
Updated at
25th Apr 2022