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

General Information of Drug (ID: DR2476)
Drug Name
Isomaltose
Synonyms
Brachiose; DLRVVLDZNNYCBX-RTPHMHGBSA-N; ISOMALTOSE; Isomalto-oligosaccharide; Isomaltose, ~98% (TLC); SCHEMBL1782423; 499-40-1; 6-O-alpha-D-glucopyranosyl-D-glucopyranose; 6024AF; AKOS026749917; CHEBI:28189; CHEMBL66675; HMS2236B05; I0231; MFCD00065373; MLS001333223; MLS001333224; SMR000857202; alpha-1,6-Glucobiose; alpha-D-Glc-(1->6)-D-Glc; alpha-D-Glcp-(1->6)-D-Glcp; alpha-D-Glcp-(1-6)-D-Glcp; alpha-D-glucopyranosyl-(1-6)-D-glucopyranose; alpha-D-glucosyl-(1->6)-D-glucose
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 342.3 Topological Polar Surface Area 190
Heavy Atom Count 23 Rotatable Bond Count 4
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 11
Cross-matching ID
PubChem CID
439193
ChEBI ID
CHEBI:28189
CAS Number
499-40-1
Formula
C12H22O11
Canonical SMILES
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O
InChI
1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1
InChIKey
DLRVVLDZNNYCBX-RTPHMHGBSA-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
Glucose DM003485
5793
Unclear 1 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005336 Isomaltose Glucose Unclear MGAM2 [2], [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Alpha-glucosidase (aglA) DME1138 Blautia obeum
A0A173ZA10_9FIRM
3.2.1.20
[2]
alpha-glucosidase (MGAM2) DMEN248 Homo sapiens
MGAL_HUMAN
3.2.1.3
[2] , [3]
References
1 Low glycemic index prototype isomaltulose-update of clinical trials. Nutrients. 2017 Apr 13;9(4). pii: E381.
2 Novel alpha-glucosidase from human gut microbiome: substrate specificities and their switch. FASEB J. 2010 Oct;24(10):3939-49.
3 Crystal Structure and Mutational Analysis of Isomalto-dextranase, a Member of Glycoside Hydrolase Family 27

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