Structure Database (LMSD)
Common Name
7Z-Hexadecenoylcarnitine
Systematic Name
3-[(7Z)-hexadeca-7-enoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of 7Z-Hexadecenoylcarnitine
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)
NRCCZFJHTDUMBS-BIGNBACZSA-N
InChi (Click to copy)
InChI=1S/C23H43NO4/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/h12-13,21H,5-11,14-20H2,1-4H3/b13-12-/t21-/m1/s1
SMILES (Click to copy)
O=C(CCCCC/C=C\CCCCCCCC)O[C@](CC([O-])=O)(C[N+](C)(C)C)[H]
References
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
Aromatic Rings
Rotatable Bonds
19
Van der Waals Molecular Volume
444.70
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
Hydrogen Bond Acceptors
5
logP
4.57
Molar Refractivity
114.31
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
24th Nov 2023
Updated at
24th Nov 2023