Structure Database (LMSD)

+ N O _ O O O
Common Name
DL-Acetylcarnitine
Systematic Name
3-(acetyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
  • Acetylcarnitine
  • Acetyl-DL-carnitine
LM ID
LMFA07070060
Formula
C9H17NO4
Exact Mass
Calculate m/z
203.115759
Sum Composition
CAR 2:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View ion mobility data

Main

Classification

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

String Representations

InChiKey (Click to copy)
RDHQFKQIGNGIED-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3
SMILES (Click to copy)
C([N+](C)(C)C)C(OC(C)=O)CC([O-])=O

References

Other Databases

KEGG ID
C02571
HMDB ID
HMDB00201
CHEBI ID
73024
PubChem CID
1

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 205.14
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP -0.66
Molar Refractivity 49.77

Reactions

Filter by species:
ⓘ 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.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022