Structure Database (LMSD)

Common Name
DL-Acetylcarnitine
Systematic Name
3-(acetyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
  • Acetylcarnitine
  • Acetyl-DL-carnitine
LM ID
LMFA07070060
Status
Active
Exact Mass
Calculate m/z
203.115759
Formula
Abbrev




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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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
HMDB ID
CHEBI ID
PubChem CID

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

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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

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Created at
-
Updated at
25th Apr 2022