Structure Database (LMSD)
Common Name
3-hydroxyeicosanoylcarnitine
Systematic Name
3-[(3-hydroxyicosanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
- 3-[(3-hydroxyicosanoyl)oxy]-4-(trimethylammonio)butanoate
- 3-hydroxyarachidoylcarnitine
- 3-hydroxyicosanoylcarnitine
- O-(3-hydroxyarachidoyl)carnitine
- O-(3-hydroxyeicosanoyl)carnitine
- O-(3-hydroxyicosanoyl)carnitine
LM ID
LMFA07070040
Formula
Exact Mass
Calculate m/z
471.392374
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-hydroxyeicosanoylcarnitine
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)
ACXPNSWGVZLPRG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H53NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(29)21-27(32)33-25(22-26(30)31)23-28(2,3)4/h24-25,29H,5-23H2,1-4H3
SMILES (Click to copy)
C(CCCCCCCCCCC)CCCCCC(O)CC(OC(C[N+](C)(C)C)CC([O-])=O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
0
Aromatic Rings
0
Rotatable Bonds
24
Van der Waals Molecular Volume
525.33
Topological Polar Surface Area
86.66
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
5.61
Molar Refractivity
134.77
Admin
Created at
-
Updated at
25th Apr 2022