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

General Information of Drug (ID: DR1494)
Drug Name
Sodium oxybate
Synonyms
Sodium Oxybate [USAN]; Sodium gamma-hydroxybutyrate; Sodium oxybate; Sodium-4-hydroxybutyrate; Somsanit; gamma-Hydroxy sodium butyrate; Anetamin; Gamma OH; Natrium 4-hydroxybutyrat; Oxybate (sodium); Oxybate sodium; Sodium 4-hydroxybutyrate; gamma-Hydroxybutyrate sodium; gamma-Hydroxybutyrate sodium salt; sodium 4-hydroxybutanoate; 4-Hydroxybuttersaeure natriumsalz; 4-Hydroxybutyrate sodium; 4-Hydroxybutyric acid sodium salt; 502-85-2; Butanoic acid, 4-hydroxy-, monosodium salt; EINECS 207-953-3; NSC 84223; UNII-7G33012534
Indication Narcolepsy [ICD11: 7A20] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 126.09 Topological Polar Surface Area 60.4
Heavy Atom Count 8 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
23663870
CAS Number
502-85-2
Formula
C4H7NaO3
Canonical SMILES
C(CC(=O)[O-])CO.[Na+]
InChI
1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1
InChIKey
XYGBKMMCQDZQOZ-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
Succinic Semialdehyde DM006354
1112
Oxidation - Oxidationn 1 [2]
Succinic Acid DM006355
1110
Oxidation - Oxidationn 2 [2]
CO2 DM000908
280
Oxidation - Oxidationn 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006823 Sodium oxybate Succinic Semialdehyde Oxidation - Oxidationn ADHFE1 [2]
MR006824 Succinic Semialdehyde Succinic Acid Oxidation - Oxidationn ALDH5A1 [2]
MR006825 Succinic Acid Carbon dioxide Oxidation - Oxidationn Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Hydroxyacid-oxoacid transhydrogenase (ADHFE1) DME0213 Homo sapiens
HOT_HUMAN
1.1.99.24
[2]
Succinate-semialdehyde dehydrogenase (ALDH5A1) DME0214 Homo sapiens
SSDH_HUMAN
1.2.1.24
[3]
References
1 Sodium Oxybate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Kinetic characterization of human hydroxyacid-oxoacid transhydrogenase: relevance to D-2-hydroxyglutaric and gamma-hydroxybutyric acidurias. J Inherit Metab Dis. 2005;28(6):921-30.
3 Redox-switch modulation of human SSADH by dynamic catalytic loop. EMBO J. 2009 Apr 8;28(7):959-68.

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