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

General Information of Drug (ID: DR1996)
Drug Name
D-glucuronate
Synonyms
AEMOLEFTQBMNLQ-AQKNRBDQSA-N; D-GlcA; D-Glucopyranuronate; D-Glucopyranuronic Acid; D-Glucuronate; D-Glucuronic Acid; Glucopyranuronate; Glucopyranuronic Acid; Glucosiduronic acid; Glucuronate; Glucuronic Acid; Maybridge1_004154; O_FULL_00000000001000_GS_791; SR-01000639202-1; AC1L3SRL; AC1Q5R59; AKOS015955920; C00191; CCG-49770; CHEBI:47952; CHEMBL496672; DTXSID50894097; EINECS 208-429-7; Epitope ID:115136; GlcA; HMS553E20; SCHEMBL30411; WURCS=2.0/1,1,0/[a2122A-1x_1-5]/1/; bmse000140
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 194.14 Topological Polar Surface Area 127
Heavy Atom Count 13 Rotatable Bond Count 1
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
94715
ChEBI ID
CHEBI:47952
CAS Number
528-16-5
Formula
C6H10O7
Canonical SMILES
C1(C(C(OC(C1O)O)C(=O)O)O)O
InChI
1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1
InChIKey
AEMOLEFTQBMNLQ-AQKNRBDQSA-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
L-Gulonate DM005863
6857680
Unclear 1 [3]
Ascorbic acid DM004934
54670067
Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006282 D-glucuronate L-Gulonate Unclear AKR1A ... [3]
MR006283 L-Gulonate L-Ascorbate Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldo-keto reductase 1A1 (AKR1A1) DME0098 Homo sapiens
AK1A1_HUMAN
1.1.1.2
[2]
Aldo-keto reductase 1B1 (AKR1B1) DME0087 Homo sapiens
ALDR_HUMAN
1.1.1.21
[3]
Aldo-keto reductase family 1 member A (AKR1A) DMEN315 Homo sapiens Not Available Not Available [3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Aldo-keto reductase 1A1 (AKR1A1) DME0098 Km = 364 microM
AK1A1_HUMAN
[2]
References
1 G-SRS database: SODIUM GLUCURONATE MONOHYDRATE
2 The C-terminal loop of aldehyde reductase determines the substrate and inhibitor specificity. Biochemistry. 1996 Nov 12;35(45):14276-80.
3 Pleiotropic Actions of Aldehyde Reductase (AKR1A)

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