General Information of Drug (ID: DMT6X03)

Drug Name
D-mannose
Synonyms
D-Mannose; Mannose; D-Mannopyranose; Seminose; Carubinose; Mannopyranose; Mannopyranoside; D-(+)-Mannose; 530-26-7; CHEBI:4208; DL-Mannose; D(+)-Mannose; (+-)-Mannose; (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; D-Mannopyranoside; D-Man; WQZGKKKJIJFFOK-QTVWNMPRSA-N; Man; Mannopyranose, D-; SMR000857125; EINECS 208-474-2; D-Mannose,(S); alpha,beta-D-mannopyranose; bmse000018; bmse000882; Epitope ID:152206; bmse000874; AC1L2D5C; SCHEMBL38300; MLS001332528; MLS001332527; GTPL4650; CHEMBL469448; DTXSID5040463
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 180.16
Logarithm of the Partition Coefficient (xlogp) -2.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C6H12O6
IUPAC Name
(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O
InChI
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1
InChIKey
WQZGKKKJIJFFOK-QTVWNMPRSA-N
Cross-matching ID
PubChem CID
18950
ChEBI ID
CHEBI:4208
CAS Number
530-26-7
TTD ID
D0GS9E
VARIDT ID
DR00202
INTEDE ID
DR2146

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Sodium/glucose cotransporter 4 (SLC5A9) DT1CP40 SC5A9_HUMAN Substrate [2]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Glyceraldehyde-3-phosphate dehydrogenase (gap) DEVSIE6 A0A3A9YGB0_LACAI Substrate [3]
Beta-galactosidase (bgaB) DE26IS8 A0A510JCD5_9FUSO Substrate [4], [5]
Beta-galactosidase (bgaB) DEXTCU0 LACG_LEPBD Substrate [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
GPI mannosyltransferase 2 (PIGV) OTI6LT46 PIGV_HUMAN Regulation of Drug Effects [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4650).
2 SLC5A9/SGLT4, a new Na+-dependent glucose transporter, is an essential transporter for mannose, 1,5-anhydro-D-glucitol, and fructose. Life Sci. 2005 Jan 14;76(9):1039-50.
3 Cloning, expression and characterization of a mucin-binding GAPDH from Lactobacillus acidophilus. Int J Biol Macromol. 2016 Oct;91:338-46.
4 Genetic diversity of Leptotrichia and description of Leptotrichia goodfellowii sp. nov., Leptotrichia hofstadii sp. nov., Leptotrichia shahii sp. nov. and Leptotrichia wadei sp. nov. Int J Syst Evol Microbiol. 2004 Mar;54(Pt 2):583-592.
5 Leptotrichia species in human infections II. J Oral Microbiol. 2017 Sep 15;9(1):1368848.
6 PIG-V involved in transferring the second mannose in glycosylphosphatidylinositol. J Biol Chem. 2005 Mar 11;280(10):9489-97. doi: 10.1074/jbc.M413867200. Epub 2004 Dec 28.