Structure Database (LMSD)
Common Name
3S-hydroxyoctanoylcarnitine
Systematic Name
3S-{[-3-hydroxyoctanoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms
3D model of 3S-hydroxyoctanoylcarnitine
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)
LUBMSOHGUAAXAM-QWHCGFSZSA-N
InChi (Click to copy)
InChI=1S/C15H29NO5/c1-5-6-7-8-12(17)9-15(20)21-13(10-14(18)19)11-16(2,3)4/h12-13,17H,5-11H2,1-4H3/t12-,13+/m0/s1
SMILES (Click to copy)
O=C(C[C@@H](O)CCCCC)O[C@](CC([O-])=O)(C[N+](C)(C)C)[H]
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
Aromatic Rings
Rotatable Bonds
12
Van der Waals Molecular Volume
317.73
Topological Polar Surface Area
86.66
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
0.93
Molar Refractivity
79.37
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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Admin
Created at
24th Nov 2023
Updated at
24th Nov 2023