Structure Database (LMSD)
Common Name
Elaidic carnitine
Systematic Name
3-[(9E)-octadec-9-enoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of Elaidic carnitine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IPOLTUVFXFHAHI-OUKQBFOZSA-N
InChi (Click to copy)
InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12+
SMILES (Click to copy)
C(OC(C[N+](C)(C)C)CC([O-])=O)(CCCCCCC/C=C/CCCCCCCC)=O
References
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
21
Van der Waals Molecular Volume
479.30
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
5.35
Molar Refractivity
123.54
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