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

General Information of Drug (ID: DR2485)
Drug Name
LS-69767
Synonyms
Dietade Dietary Foods; Fructooligosaccharides; Fructose, furanose form; Frutooligosaccharides; SCHEMBL3966; beta-D-Arabino-hexulose; beta-D-Fructose; beta-D-fructofuranose; beta-Fruit sugar; beta-Levulose; (2,1-beta-D-Fructosyl)n; (2->1)-beta-D-fructan; (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol; .beta.-D-Fructofuranose; 2x7x; 470-23-5; B986VTP17J; CAS-57-48-7; CHEBI:28645; DSSTox_CID_3081; DSSTox_GSID_23081; DSSTox_RID_76866; UNII-B986VTP17J; beta-D-fructofuranose (closed ring structure)
Indication Chronic myelogenous leukaemia [ICD11: 2A20] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 180.16 Topological Polar Surface Area 110
Heavy Atom Count 12 Rotatable Bond Count 2
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
439709
ChEBI ID
CHEBI:28645
CAS Number
53188-23-1
Formula
C6H12O6
Canonical SMILES
C(C1C(C(C(O1)(CO)O)O)O)O
InChI
1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKey
RFSUNEUAIZKAJO-ARQDHWQXSA-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
Fructose-1-phosphate DM005443
65246
Conjugation - Phosphorylation 1 [3]
Dihydroxyacetone phosphate DM002135
668
Unclear 2 [3]
Glyceraldehyde DM005446
751
Unclear 2 [3]
Glycerophosphoric acid DM002134
754
Unclear 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005786 LS-69767 Fructose-1-phosphate Conjugation - Phosphorylation scrK [3]
MR005787 Fructose-1-phosphate Dihydroxyacetone phosphate Unclear ALDOB [3]
MR005789 Fructose-1-phosphate Glyceraldehyde Unclear ALDOB [3]
MR005788 Dihydroxyacetone phosphate Glycerophosphoric acid Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-galactosidase (bgaB) DME1728 Weissella paramesenteroides
A0A4Q7IW92_WEIPA
3.2.1.23
[2]
Beta-galactosidase (bgaB) DME1725 Enterobacter cloacae
BGAL1_ENTCL
3.2.1.23
[2]
Beta-galactosidase (bgaB) DME2059 Cronobacter sakazakii
BGAL_CROS8
3.2.1.23
[2]
Fructokinase (scrK) DME1136 Fusobacterium mortiferum
SCRK_FUSMR
2.7.1.4
[3]
Fructose-bisphosphate aldolase B (ALDOB) DMEN273 Homo sapiens
ALDOB_HUMAN
4.1.2.13
[3]
Glycoside hydrolase (cscA) DME1724 Escherichia coli
CSCA_ECOLX
3.2.1.26
[2]
Glycosyl hydrolase (glyH) DME1721 Clostridium butyricum
A0A379KQ43_PSEPU
3.2.1.18
[2]
Glycosyl hydrolase (glyH) DME1723 Bacteroides fragilis
G1091_BACFN
3.2.1.18
[2]
Glycosyl hydrolase (glyH) DME1726 Marvinbryantia formatexigens
C6LE20_9FIRM
3.2.1.18
[2]
⏷ Show the Full List of 9  DME(s)
References
1 ClinicalTrials.gov (NCT02805075) Fructooligosaccharides in Treating Patients With Blood Cancer Undergoing Donor Stem Cell Transplant
2 In vitro fermentation of fructooligosaccharides with human gut bacteria. Food Funct. 2015 Mar;6(3):947-54.
3 Toxin and Toxin Target Database (T3DB):LS-69767

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.