Structure Database (LMSD)
Common Name
O-3Z-decenoyl-R-Carnitine
Systematic Name
3-[(3Z)-decenoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
- CAR 10:1(3Z)
3D model of O-3Z-decenoyl-R-Carnitine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
YMJNFVUJNDWLND-JQPIKURYSA-N
InChi (Click to copy)
InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h10-11,15H,5-9,12-14H2,1-4H3/b11-10-/t15-/m1/s1
SMILES (Click to copy)
O=C(C/C=C\CCCCCC)O[C@](CC([O-])=O)(C[N+](C)(C)C)[H]
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
Aromatic Rings
Rotatable Bonds
13
Van der Waals Molecular Volume
340.90
Topological Polar Surface Area
66.43
Hydrogen Bond Donors
Hydrogen Bond Acceptors
5
logP
2.23
Molar Refractivity
86.61
Reactions
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Admin
Created at
9th Nov 2023
Updated at
9th Nov 2023