Structure Database (LMSD)
Common Name
3-hydroxydodecanoylcarnitine
Systematic Name
3-[(3-hydroxydodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
- 3-[(3-hydroxydodecanoyl)oxy]-4-(trimethylammonio)butanoate
- 3-hydroxylauroylcarnitine
LM ID
LMFA07070039
Formula
Exact Mass
Calculate m/z
359.267174
Sum Composition
Status
Curated
3D model of 3-hydroxydodecanoylcarnitine
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)
ULWDPUHFMOBGFJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H37NO5/c1-5-6-7-8-9-10-11-12-16(21)13-19(24)25-17(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3
SMILES (Click to copy)
O(C(CC(O)CCCCCCCCC)=O)C(CC([O-])=O)C[N+](C)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
386.93
Topological Polar Surface Area
86.66
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
2.49
Molar Refractivity
97.84
Admin
Created at
-
Updated at
25th Apr 2022