Structure Database (LMSD)
Common Name
(5Z,8Z)-3-hydroxytetradecadienoylcarnitine
Systematic Name
3-{[(5Z,8Z)-3-hydroxytetradeca-5,8-dienoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms
- 3-{[(5Z,8Z)-3-hydroxytetradeca-5,8-dienoyl]oxy}-4-(trimethylammonio)butanoate
- 5-cis,8-cis-3-hydroxytetradecadienoylcarnitine
LM ID
LMFA07070019
Formula
Exact Mass
Calculate m/z
383.267174
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of (5Z,8Z)-3-hydroxytetradecadienoylcarnitine
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)
LVNITLZCNUEXQK-UTJQPWESSA-N
InChi (Click to copy)
InChI=1S/C21H37NO5/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/h9-10,12-13,18-19,23H,5-8,11,14-17H2,1-4H3/b10-9-,13-12-
SMILES (Click to copy)
O(C(CC(O)C/C=C\C/C=C\CCCCC)=O)C(CC([O-])=O)C[N+](C)(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
416.25
Topological Polar Surface Area
86.66
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
2.83
Molar Refractivity
106.88
Reactions
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Admin
Created at
-
Updated at
25th Apr 2022