Structure Database (LMSD)
Common Name
3-hydroxyarachidonoylcarnitine
Systematic Name
3-{[(5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms
- 3-{[(5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoyl]oxy}-4-(trimethylammonio)butanoate
LM ID
LMFA07070036
Formula
Exact Mass
Calculate m/z
463.329774
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-hydroxyarachidonoylcarnitine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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)
OWZBCUNEIOMYKW-SNPVRQPZSA-N
InChi (Click to copy)
InChI=1S/C27H45NO5/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/h9-10,12-13,15-16,18-19,24-25,29H,5-8,11,14,17,20-23H2,1-4H3/b10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC(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
20
Van der Waals Molecular Volume
514.77
Topological Polar Surface Area
86.66
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
4.72
Molar Refractivity
134.40
Admin
Created at
-
Updated at
25th Apr 2022