Structure Database (LMSD)
Common Name
9-Decenoylcarnitine
Systematic Name
3-(dec-9-enoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of 9-Decenoylcarnitine
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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String Representations
InChiKey (Click to copy)
GOOOCIIXFLVRAG-UHFFFAOYSA-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/h5,15H,1,6-14H2,2-4H3
SMILES (Click to copy)
C(C[N+](C)(C)C)(OC(=O)CCCCCCCC=C)CC(=O)[O-]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
340.90
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
2.23
Molar Refractivity
86.61
Admin
Created at
-
Updated at
25th Apr 2022