Structure Database (LMSD)
Common Name
(2E,5Z,7E)-decatrienoylcarnitine
Systematic Name
3-[(2E,5Z,7E)-deca-2,5,7-trienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
- (2E,5Z,7E)-deca-2,5,7-trienoylcarnitine
- 2-trans,5-cis,7-trans-decatrienoylcarnitine
- 3-[(2E,5Z,7E)-deca-2,5,7-trienoyloxy]-4-(trimethylammonio)butanoate
3D model of (2E,5Z,7E)-decatrienoylcarnitine
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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String Representations
InChiKey (Click to copy)
DUQXBEFMRJGSKH-PJQYHSPVSA-N
InChi (Click to copy)
InChI=1S/C17H27NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h6-9,11-12,15H,5,10,13-14H2,1-4H3/b7-6+,9-8-,12-11+
SMILES (Click to copy)
C(C[N+](C)(C)C)(OC(=O)/C=C/C/C=C\C=C\CC)CC(=O)[O-]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
335.62
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
1.78
Molar Refractivity
86.42
Admin
Created at
-
Updated at
25th Apr 2022