Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR3549)
Drug Name
Acetylcarnitine
Synonyms
(-)-Acetylcarnitine; (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; (R)-Acetylcarnitine; 3040-38-8; 6DH1W9VH8Q; ALCAR; Acetyl-L-(-)-carnitine; Acetyl-L-carnitine; Acetylcarnitine, L-; CAR(2:0); CHEBI:57589; Carnitine, acetyl-, L-; HSDB 7587; L-ACETYLCARNITINE; L-Acetyl carnitine; L-Carnitine acetyl ester; L-O-Acetylcarnitine; Levocarnitine acetyl; Nicetile; O-Acetyl-L-carnitine; R-Acetylcarnitine; RDHQFKQIGNGIED-MRVPVSSYSA-N; UNII-6DH1W9VH8Q; acetyl l-carnitine; acetyl-carnitine; acetylcarnitine
Indication Migraine [ICD11: 8A80] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 203.238 Topological Polar Surface Area 66.4
Heavy Atom Count 14 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
7045767
ChEBI ID
CHEBI:57589
CAS Number
3040-38-8
Formula
C9H17NO4
Canonical SMILES
CC(=O)OC(CC(=O)[O-])C[N+](C)(C)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
InChIKey
RDHQFKQIGNGIED-MRVPVSSYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Carnitine DM014811
288
Unclear - Unclear 1 [2]
CO2 DM000908
280
Oxidation - Oxidation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009216 Acetylcarnitine CO2 Oxidation - Oxidation ACYH [3]
MR009217 Acetylcarnitine Carnitine Unclear - Unclear Unclear [2]
References
1 ClinicalTrials.gov (NCT01695317) Effect of Acetyl-L-carnitine in Migraine
2 Metabolic imaging of hyperpolarized [1-(13) C]acetate and [1-(13) C]acetylcarnitine - investigation of the influence of dobutamine induced stress
3 Partial purification and characterization of an acetylcarnitine hydrolase from bovine epididymal spermatozoa

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