Structure Database (LMSD)
Common Name
D-palmitoylcarnitine
Systematic Name
(3S)-3-hexadecanoyloxy-4-(trimethylammonio)butanoate
Synonyms
- (3S)-3-palmitoyloxy-4-(trimethylammonio)butanoate
- (S)-palmitoylcarnitine
3D model of D-palmitoylcarnitine
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)
XOMRRQXKHMYMOC-NRFANRHFSA-N
InChi (Click to copy)
InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m0/s1
SMILES (Click to copy)
[C@H](CC([O-])=O)(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
447.34
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
4.80
Molar Refractivity
114.40
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.
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
2nd Oct 2023