Structure Database (LMSD)

Common Name
Hexanoylcarnitine
Systematic Name
3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070070
Formula
C13H25NO4
Exact Mass
Calculate m/z
259.178359
Sum Composition
CAR 6:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
VVPRQWTYSNDTEA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3
SMILES (Click to copy)
[N+](C)(C)(C)CC(OC(=O)CCCCC)CC(=O)[O-]

Other Databases

HMDB ID
HMDB0000705
CHEBI ID
70749
PubChem CID
6426853

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 274.34
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 0.90
Molar Refractivity 68.23

Admin

Created at
-
Updated at
25th Apr 2022