Structure Database (LMSD)
Common Name
trans-Hexadec-2-enoyl carnitine
Systematic Name
3-[(2E)-hexadec-2-enoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of trans-Hexadec-2-enoyl 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)
SOYNLLDADLOGAM-ISLYRVAYSA-N
InChi (Click to copy)
InChI=1S/C23H43NO4/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/h17-18,21H,5-16,19-20H2,1-4H3/b18-17+
SMILES (Click to copy)
O(C(=O)/C=C/CCCCCCCCCCCCC)C(C[N+](C)(C)C)CC(=O)[O-]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
444.70
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
4.57
Molar Refractivity
114.31
Admin
Created at
-
Updated at
25th Apr 2022