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

General Information of Drug (ID: DR1492)
Drug Name
Sodium acetate
Synonyms
Sodii acetas; Sodium acetate; Sodium acetate anhydrous; Sodium acetate, anhydrous; Sodium ethanoate; sodium-acetate; 127-09-3; Anhydrous sodium acetate; EPA Pesticide Chemical Code 044006; NVG71ZZ7P0; Natrium aceticum; Natriumacetat; Natriumacetat [German]; Natriumazetat; Octan sodny [Czech]; SODIUM DIACETATE; Acetic acid sodium salt; Acetic acid, sodium salt; Acetic acid, sodium salt (1:1); CHEBI:32954; Caswell No. 741A; EINECS 204-823-8; FEMA No. 3024; FEMA Number 3024; HSDB 688; MFCD00012459; NSC 77459; NaOAc; UNII-NVG71ZZ7P0
Indication Hyponatraemia [ICD11: 5C72] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 82.03 Topological Polar Surface Area 40.1
Heavy Atom Count 5 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
517045
ChEBI ID
CHEBI:32954
CAS Number
127-09-3
TTD Drug ID
D0Z4UY
Formula
C2H3NaO2
Canonical SMILES
CC(=O)[O-].[Na+]
InChI
1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKey
VMHLLURERBWHNL-UHFFFAOYSA-M
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
CO2 DM000908
280
Hydrolysis - Hydrolysis 1 [2]
Bicarbonate DM003443
769
Reduction - Hydrogenation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006821 Sodium acetate Carbon dioxide Hydrolysis - Hydrolysis ACSS2 [2]
MR006822 Carbon dioxide Bicarbonate Reduction - Hydrogenation ACSS2 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Acetyl-CoA synthetase (ACSS2) DME0212 Homo sapiens
ACSA_HUMAN
6.2.1.1
[2]
References
1 Theophylline was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Sodium acetate induces a metabolic alkalosis but not the increase in fatty acid oxidation observed following bicarbonate ingestion in humans. J Nutr. 2007 Jul;137(7):1750-6.

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