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
Main
Classification
Category
Main Class
Sub Class
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
References
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
Reactions
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Admin
Created at
-
Updated at
25th Apr 2022