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
UNII
PHA4727WTP
DrugBank ID
DB12907
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.