Structure Database (LMSD)

O O O _ O + N
Common Name
Butyrylcarnitine
Systematic Name
3-(butanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070054
Formula
C11H21NO4
Exact Mass
Calculate m/z
231.147059
Sum Composition
CAR 4:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acyl carnitines [FA0707]

String Representations

InChiKey (Click to copy)
QWYFHHGCZUCMBN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3
SMILES (Click to copy)
O(C(CCC)=O)C(CC([O-])=O)C[N+](C)(C)C

References

Other Databases

KEGG ID
C02862
HMDB ID
HMDB02013
CHEBI ID
7676
PubChem CID
439829

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 239.74
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 0.12
Molar Refractivity 59.00

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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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022