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

General Information of Drug (ID: DR2069)
Drug Name
Alpha-D-galactose
Synonyms
Alpha D-Galactose; D-hexose; Gal-alpha; Galactose (D-Galactopyranose); Galactose (NF); Galactose [USAN:NF]; Hexose; Levovist; PubChem23904; a-D-galactopyranose; alpha-D-Gal; alpha-galactose; alphaGal; (2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 3646-73-9; 5abp; 6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetraol; 7IOF6H4H77; 8abp; Alpha-D-Galactopyranose; Alpha-D-Galactoside; CHEBI:28061; Epitope ID:136906; GTPL4646; SCHEMBL18314; UNII-7IOF6H4H77; alpha-D-galactose; bmse000013; bmse001006
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 180.16 Topological Polar Surface Area 110
Heavy Atom Count 12 Rotatable Bond Count 1
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
439357
PubChem SID
2126 ; 4231 ; 585631 ; 819737 ; 821847 ; 822032 ; 823284 ; 824185 ; 825231 ; 825450 ; 827886 ; 827887 ; 827891 ; 827914 ; 828584 ; 828594 ; 828763 ; 829545 ; 830219 ; 830571 ; 830801 ; 830813 ; 830975 ; 831011 ; 831102 ; 832269 ; 833295 ; 833368 ; 833476 ; 834474 ; 836035 ; 836778 ; 836782 ; 837254 ; 838212 ; 838760 ; 839013 ; 855047 ; 855128 ; 7887757 ; 7887845 ; 8004582 ; 8022578 ; 8026739 ; 10298309 ; 11110371 ; 12055836 ; 14717692 ; 14968276 ; 17422105
ChEBI ID
CHEBI:28061
CAS Number
3646-73-9
TTD Drug ID
D0D0BJ
Formula
C6H12O6
Canonical SMILES
C(C1C(C(C(C(O1)O)O)O)O)O
InChI
1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
InChIKey
WQZGKKKJIJFFOK-PHYPRBDBSA-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
Galactose-1-phosphate DM001735
123912
Other reaction - Phosphorylation; Galactokinase 1 [3] , [4] , [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000159 Alpha-D-galactose Alpha-D-galactose 1-phosphate Other reaction - Phosphorylation; Galactokinase UGT1A1 [3], [4], [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Galactose mutarotase (GALM) DME0513 Homo sapiens
GALM_HUMAN
5.1.3.3
[2]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Galactose mutarotase (GALM) DME0513 Km = 37 microM
GALM_HUMAN
[2]
References
1 The IUPHAR/BPS Guide to PHARMACOLOGY in 2020: extending immunopharmacology content and introducing the IUPHAR/MMV Guide to MALARIA PHARMACOLOGY. Nucleic Acids Res. 2020 Jan 8;48(D1):D1006-D1021. (Ligand id: 4646).
2 Identification and characterisation of human aldose 1-epimerase. FEBS Lett. 2003 May 22;543(1-3):21-4.
3 Molecular structure of galactokinase J Biol Chem. 2003 Aug 29;278(35):33305-11. doi: 10.1074/jbc.M304789200.
4 Enzymatic production of alpha-D-galactose 1-phosphate by lactose phosphorolysis Biotechnol Lett. 2009 Dec;31(12):1873-7. doi: 10.1007/s10529-009-0087-1.
5 The Antifungal Effects of Citral on Magnaporthe oryzae Occur via Modulation of Chitin Content as Revealed by RNA-Seq Analysis. J Fungi (Basel). 2021 Nov 29;7(12):1023. doi: 10.3390/jof7121023.

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