Structure Database (LMSD)
Common Name
6-Keto-decanoylcarnitine
Systematic Name
3-[(6-oxodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070047
Formula
Exact Mass
Calculate m/z
329.220224
Sum Composition
Status
Active
3D model of 6-Keto-decanoylcarnitine
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)
DZALQUYFNHIYDL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H31NO5/c1-5-6-9-14(19)10-7-8-11-17(22)23-15(12-16(20)21)13-18(2,3)4/h15H,5-13H2,1-4H3
SMILES (Click to copy)
C(C)CCC(=O)CCCCC(OC(C[N+](C)(C)C)CC(=O)[O-])=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
349.69
Topological Polar Surface Area
83.50
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
logP
1.64
Molar Refractivity
87.09
Admin
Created at
-
Updated at
25th Apr 2022