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

General Information of Drug (ID: DR2483)
Drug Name
Stachyose
Synonyms
D-Stachyose; Lupeose; Manneotetrose; Stachyose; Stachyose n-Hydrate; UQZIYBXSHAGNOE-XNSRJBNMSA-N; ZINC85544384; 470-55-3; 54261-98-2; AK111270; AKOS016009597; C01613; CC-34534; CHEBI:17164; CHEMBL1625803; Epitope ID:150068; MFCD00149457; NCGC00246978-01; O-alpha-D-galactopyranosyl-(1->6)o-alpha-D-galactopyranosyl-(1->6)O-alpha-D-galactopyranosyl-beta-D-fructofuranoside; SCHEMBL32922; Stachyose hydrate from Stachys tuberifera; alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf; bmse000240
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 666.6 Topological Polar Surface Area 348
Heavy Atom Count 45 Rotatable Bond Count 11
Hydrogen Bond Donor Count 14 Hydrogen Bond Acceptor Count 21
Cross-matching ID
PubChem CID
439531
ChEBI ID
CHEBI:17164
CAS Number
470-55-3
Formula
C24H42O21
Canonical SMILES
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O
InChI
1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1
InChIKey
UQZIYBXSHAGNOE-XNSRJBNMSA-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
Raffinose DM014791 N. A. Unclear 1 [2]
Verbascose DM014790 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005890 Stachyose Verbascose Unclear VS [2]
MR005891 Stachyose Raffinose Unclear VS [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
#NAME? DMEN252 Homo sapiens Not Available Not Available [2]
Beta-fructofuranosidase (BFRU) DME1711 Lactobacillus buchneri
A0A089QDN8_9LACO
3.2.1.26
[3]
Beta-fructofuranosidase (BFRU) DME1712 Lactobacillus fermentum
A0A089QDN8_9LACO
3.2.1.26
[3]
Beta-fructofuranosidase (BFRU) DME1713 Lactobacillus salivarius
A0A089QDN8_9LACO
3.2.1.26
[3]
verbascose synthase (VS) DMEN280 Homo sapiens Not Available Not Available [2]
References
1 PubChem 2019 update: improved access to chemical data. Nucleic Acids Res. 2019 Jan 8; 47(D1):D1102-1109. (PubChem CID: 439531)
2 Optimizing raffinose family oligosaccharides content in plants: A tightrope walk
3 Alpha-glactosidase activity of lactobacilli. Appl Microbiol. 1973 Nov;26(5):783-8.

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