Structure Database (LMSD)
Common Name
Hydroxyhexanoycarnitine
Systematic Name
(3S)-3-[(3-hydroxyhexanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of Hydroxyhexanoycarnitine
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)
VYEONLJQPYRKAN-DTIOYNMSSA-N
InChi (Click to copy)
InChI=1S/C13H25NO5/c1-5-6-10(15)7-13(18)19-11(8-12(16)17)9-14(2,3)4/h10-11,15H,5-9H2,1-4H3/t10?,11-/m0/s1
SMILES (Click to copy)
[C@H](C[N+](C)(C)C)(OC(=O)CC(O)CCC)CC(=O)[O-]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
283.13
Topological Polar Surface Area
86.66
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
0.15
Molar Refractivity
70.14
Admin
Created at
-
Updated at
25th Apr 2022