Structure Database (LMSD)
Common Name
(7Z,10Z)-hexadecadienoylcarnitine
Systematic Name
3-[(7Z,10Z)-hexadeca-7,10-dienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
- 3-[(7Z,10Z)-hexadeca-7,10-dienoyloxy]-4-(trimethylammonio)butanoate
- 7cis,10cis-hexadecadienoylcarnitine
3D model of (7Z,10Z)-hexadecadienoylcarnitine
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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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.
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String Representations
InChiKey (Click to copy)
XNGJEEKHLXXKLB-UTJQPWESSA-N
InChi (Click to copy)
InChI=1S/C23H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h9-10,12-13,21H,5-8,11,14-20H2,1-4H3/b10-9-,13-12-
SMILES (Click to copy)
O(C(CCCCC/C=C\C/C=C\CCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
442.06
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
logP
4.35
Molar Refractivity
114.22
Admin
Created at
-
Updated at
25th Apr 2022