Structure Database (LMSD)
Common Name
2-Hydroxylauroylcarnitine
Systematic Name
3-[(2-hydroxydodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070032
Formula
Exact Mass
Calculate m/z
359.267174
Sum Composition
Status
Curated
3D model of 2-Hydroxylauroylcarnitine
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)
PBBJEGGNZPXIGJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H37NO5/c1-5-6-7-8-9-10-11-12-13-17(21)19(24)25-16(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3
SMILES (Click to copy)
C(CCC)CCCCCCC(O)C(OC(C[N+](C)(C)C)CC(=O)[O-])=O
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