Structure Database (LMSD)
Common Name
(2E,4Z)-decadienoylcarnitine
Systematic Name
3-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
- 3-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylammonio)butanoate
- cis-4-trans-2-decadienoylcarnitine
3D model of (2E,4Z)-decadienoylcarnitine
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)
URTBCBICNCMCPB-CWUOWYQYSA-N
InChi (Click to copy)
InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+/t15-/m1/s1
SMILES (Click to copy)
O=C(/C=C/C=C\CCCCC)O[C@](CC([O-])=O)(C[N+](C)(C)C)[H]
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
338.26
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
2.01
Molar Refractivity
86.51
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).
Admin
Created at
-
Updated at
22nd Nov 2023