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

General Information of Drug (ID: DR2478)
Drug Name
Raffinose
Synonyms
D-Raffinose; Gossypose; MUPFEKGTMRGPLJ-ZQSKZDJDSA-N; Melitose; Melitriose; N5O3QU595M; RAFFINOSE; Raffinose (8CI); Raffinose, pure; d(+)-raffinose; d-(+)-Raffinose; rafinose; raflinose; 512-69-6; 6G-alpha-D-galactosylsucrose; AI3-19427; C18H32O16; CHEBI:16634; EINECS 208-146-9; NSC 170228; NSC 2025; NSC170228; UNII-N5O3QU595M; alpha-D-glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1->6)-; beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 504.4 Topological Polar Surface Area 269
Heavy Atom Count 34 Rotatable Bond Count 8
Hydrogen Bond Donor Count 11 Hydrogen Bond Acceptor Count 16
Cross-matching ID
PubChem CID
439242
ChEBI ID
CHEBI:16634
CAS Number
512-69-6
Formula
C18H32O16
Canonical SMILES
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O
InChI
1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1
InChIKey
MUPFEKGTMRGPLJ-ZQSKZDJDSA-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 DM005524
2723872
Unclear 1 [5]
Galactose DM003154
6036
Unclear 1 [5]
Glucose DM003485
5793
Unclear 1 [5]
Glucose-1-p DM005914
18594432
Unclear 1 [5]
Sucrose DM003104
5988
Unclear 1 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006352 Raffinose Sucrose Unclear Unclear [5]
MR006353 Raffinose Galactose Unclear Unclear [5]
MR006354 Raffinose Glucose-1-p Unclear Unclear [5]
MR006355 Raffinose Fructose Unclear Unclear [5]
MR006356 Raffinose Glucose Unclear Unclear [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Alpha-galactosidase (melA) DME1719 Streptococcus thermophilus
A0A564RX90_STRTR
3.2.1.22
[2]
Alpha-galactosidase (melA) DME1714 Lactobacillus acidophilus
MELA_LACAC
3.2.1.22
[3]
Beta-fructofuranosidase (BFRU) DME1711 Lactobacillus buchneri
A0A089QDN8_9LACO
3.2.1.26
[4]
Beta-fructofuranosidase (BFRU) DME1712 Lactobacillus fermentum
A0A089QDN8_9LACO
3.2.1.26
[4]
Beta-fructofuranosidase (BFRU) DME1713 Lactobacillus salivarius
A0A089QDN8_9LACO
3.2.1.26
[4]
Beta-galactosidase (bgaB) DME1715 Lactobacillus acidophilus
BGAL2_LACAI
3.2.1.23
[5]
Sucrose phosphorylase (Spase) DME1718 Lactobacillus acidophilus
Q7WWQ5_LACAI
2.4.1.7
[5]
⏷ Show the Full List of 7  DME(s)
References
1 PubChem 2019 update: improved access to chemical data. Nucleic Acids Res. 2019 Jan 8; 47(D1):D1102-1109. (PubChem CID: 439242)
2 Use of an alpha-galactosidase gene as a food-grade selection marker for Streptococcus thermophilus. J Dairy Sci. 2005 Jul;88(7):2341-7.
3 Crystal structure of alpha-galactosidase from Lactobacillus acidophilus NCFM: insight into tetramer formation and substrate binding. J Mol Biol. 2011 Sep 23;412(3):466-80.
4 Alpha-glactosidase activity of lactobacilli. Appl Microbiol. 1973 Nov;26(5):783-8.
5 Differential proteome and cellular adhesion analyses of the probiotic bacterium Lactobacillus acidophilus NCFM grown on raffinose - an emerging prebiotic. Proteomics. 2016 May;16(9):1361-75.

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