Structure Database (LMSD)
Common Name
cis-5-Tetradecenoylcarnitine
Systematic Name
3-[(5Z)-tetradec-5-enoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of cis-5-Tetradecenoylcarnitine
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)
NNCBVXBBLABOCB-SEYXRHQNSA-N
InChi (Click to copy)
InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-13,19H,5-11,14-18H2,1-4H3/b13-12-
SMILES (Click to copy)
[N+](C)(C)(C)CC(OC(=O)CCC/C=C\CCCCCCCC)CC(=O)[O-]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
410.10
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
3.79
Molar Refractivity
105.08
Admin
Created at
-
Updated at
25th Apr 2022