Structure Database (LMSD)
Common Name
4,8 dimethylnonanoyl carnitine
Systematic Name
3-[(4,8-dimethylnonanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of 4,8 dimethylnonanoyl 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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String Representations
InChiKey (Click to copy)
DDTDJDZHDFMZED-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H35NO4/c1-14(2)8-7-9-15(3)10-11-18(22)23-16(12-17(20)21)13-19(4,5)6/h14-16H,7-13H2,1-6H3
SMILES (Click to copy)
C(C(OC(=O)CCC(C)CCCC(C)C)CC([O-])=O)[N+](C)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
360.84
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
2.56
Molar Refractivity
91.18
Admin
Created at
-
Updated at
25th Apr 2022