PRD_900033

methyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside

Created: 2020-05-08
Last modified:  2020-07-29

PRD_900033 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1X9D.

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count10
Bond Count49
Aromatic Bond Count0
Toggle HydrogenToggle Labels

Chemical Component Summary

Namemethyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside
Systematic Name (OpenEye OEToolkits)(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]sulfanyl-6-(hydroxymethyl)oxan e-3,4,5-triol
FormulaC13 H24 O10 S
Molecular Weight372.389
TypeSACCHARIDE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04S(C1C(OC)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO
SMILESCACTVS3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O
SMILESOpenEye OEToolkits1.5.0COC1C(C(C(C(O1)CO)O)O)SC2C(C(C(C(O2)CO)O)O)O
Canonical SMILESCACTVS3.341 CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O
Canonical SMILESOpenEye OEToolkits1.5.0 CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChIInChI1.03 InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7- ,8+,9+,10+,11+,12+,13-/m1/s1
InChIKeyInChI1.03 WAYOKHSZGNFKSX-ZEEOCKJESA-N

Drug Info: DrugBank

DrugBank IDDB02422 
NameMethyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside
Groups experimental
SynonymsMethyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside

Drug Targets

NameTarget SequencePharmacological ActionActions
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidaseMAACEGRRSGALGSSQSDFLTPPVGGAPWAVATTVVMYPPPPPPPHRDFI...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 656957