Structure Database (LMSD)
Common Name
Linoelaidyl carnitine
Systematic Name
3-[(9E,12E)-octadeca-9,12-dienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of Linoelaidyl carnitine
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)
MJLXQSQYKZWZCB-OKLKQMLOSA-N
InChi (Click to copy)
InChI=1S/C25H45NO4/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/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9+,13-12+
SMILES (Click to copy)
C(=O)([O-])CC(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)C[N+](C)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
476.66
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
5.13
Molar Refractivity
123.45
Admin
Created at
-
Updated at
25th Apr 2022