acetyl-L-carnitine   Click here for help

GtoPdb Ligand ID: 4520

Synonyms: (-)-Acetylcarnitine | ALCAR | L-Acetylcarnitine | Levocarnitine acetyl | O-Acetyl-L-carnitine
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 66.43
Molecular weight 203.12
XLogP -1
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES [O-]C(=O)C[C@H](C[N+](C)(C)C)OC(=O)C
Isomeric SMILES [O-]C(=O)C[C@H](C[N+](C)(C)C)OC(=O)C
InChI InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1
InChI Key RDHQFKQIGNGIED-MRVPVSSYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate
Synonyms Click here for help
(-)-Acetylcarnitine | ALCAR | L-Acetylcarnitine | Levocarnitine acetyl | O-Acetyl-L-carnitine
Database Links Click here for help
CAS Registry No. 3040-38-8 (source: Scifinder)
ChEBI CHEBI:57589
DrugCentral Ligand 64
GtoPdb PubChem SID 178101245
PubChem CID 7045767
Search Google for chemical match using the InChIKey RDHQFKQIGNGIED-MRVPVSSYSA-N
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Search UniChem for chemical match using the InChIKey RDHQFKQIGNGIED-MRVPVSSYSA-N
Search UniChem for chemicals with the same backbone RDHQFKQIGNGIED
Wikipedia Acetyl-L-carnitine