Structure Database (LMSD)
Common Name
2E,decenoylcarnitine
Systematic Name
3-[(2E-decenoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of 2E,decenoylcarnitine
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)
MITAQTMTDSXVQD-AYJWMTRPSA-N
InChi (Click to copy)
InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h11-12,15H,5-10,13-14H2,1-4H3/b12-11+/t15-/m1/s1
SMILES (Click to copy)
O=C(/C=C/CCCCCCC)O[C@](CC([O-])=O)(C[N+](C)(C)C)[H]
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
Aromatic Rings
Rotatable Bonds
13
Van der Waals Molecular Volume
340.90
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
Hydrogen Bond Acceptors
5
logP
2.23
Molar Refractivity
86.61
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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Admin
Created at
24th Nov 2023
Updated at
24th Nov 2023