Structure Database (LMSD)
Common Name
3-hydroxytetradecanoylcarnitine
Systematic Name
3-[(3-hydroxytetradecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
- 3-[(3-hydroxytetradecanoyl)oxy]-4-(trimethylammonio)butanoate
- 3-hydroxymyristoylcarnitine
LM ID
LMFA07070045
Formula
Exact Mass
Calculate m/z
387.298474
Sum Composition
Status
Active
3D model of 3-hydroxytetradecanoylcarnitine
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
Filter by species:
ⓘ
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.
Click on an edge to display the reaction(s).
String Representations
InChiKey (Click to copy)
GFAZJTUXMHGTOC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)15-21(26)27-19(16-20(24)25)17-22(2,3)4/h18-19,23H,5-17H2,1-4H3
SMILES (Click to copy)
O(C(CC(O)CCCCCCCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
421.53
Topological Polar Surface Area
86.66
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
3.27
Molar Refractivity
107.07
Admin
Created at
-
Updated at
25th Apr 2022