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

General Information of Drug (ID: DR2670)
Drug Name
Kestose
Synonyms
Kestose; Kestose, 6-; Q27133478; (Fruf)2 (Glc)1; 562-68-5; 6-Kestose; 6-kestotriose; AAE9A8CC-2223-4E2E-84C7-100A261F8834; Beta-D-Fructofuranosyl-(2->6)-Beta-D-Fructofuranosyl Alpha-D-Glucopyranoside; CHEBI:64833; EINECS 209-232-9; G7AZF7CGY8; O-beta-D-Fructofuranosyl-(2.6)-beta-D-fructofuranosyl-alpha-D-glucopyranoside; UNII-19B0LEI158 component ODEHMIGXGLNAKK-OESPXIITSA-N; UNII-G7AZF7CGY8; UNII-YUH1C99228 component ODEHMIGXGLNAKK-OESPXIITSA-N
Indication Atopic dermatitis [ICD11: EA80] Preclinical [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 504.4 Topological Polar Surface Area 269
Heavy Atom Count 34 Rotatable Bond Count 9
Hydrogen Bond Donor Count 11 Hydrogen Bond Acceptor Count 16
Cross-matching ID
PubChem CID
9914062
ChEBI ID
CHEBI:64833
CAS Number
562-68-5
Formula
C18H32O16
Canonical SMILES
C(C1C(C(C(C(O1)OC2(C(C(C(O2)COC3(C(C(C(O3)CO)O)O)CO)O)O)CO)O)O)O)O
InChI
1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(5-22)15(29)11(25)8(33-18)3-30-17(4-21)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1
InChIKey
ODEHMIGXGLNAKK-OESPXIITSA-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
Unclear DM009999 N. A. Oxidation - Hydrolyzationn 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006983 Kestose Unclear Oxidation - Hydrolyzationn DME-unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-fructofuranosidase (BFRU) DME1162 Bifidobacterium longum
E1CPU3_BIFLN
3.2.1.26
[2]
Sucrose phosphorylase (Spase) DME1545 Bifidobacterium longum
A0A0M4N1J6_BIFLN
2.4.1.7
[2]
Sucrose-6-phosphate hydrolase scrB (ScrB) DME1542 Anaerostipes caccae
B0MAC0_ANACD
3.2.1.26
[2]
References
1 Effects of kestose on gut mucosal immunity in an atopic dermatitis mouse model. J Dermatol Sci. 2018 Jan;89(1):27-32.
2 Characterization of fructooligosaccharide-degrading enzymes in human commensal Bifidobacterium longum and Anaerostipes caccae. Biochem Biophys Res Commun. 2019 Oct 15;518(2):294-298.
3 Extracellular fructooligosaccharide degradation in Anaerostipes hadrus for co-metabolism with non-fructooligosaccharide utilizers

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