NGT

3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL



Chemical Component Summary

Name3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL
Identifiers(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[5,6-d][1,3]thiazole-6,7-diol
FormulaC8 H13 N O4 S
Molecular Weight219.258
TypeNON-POLYMER
Isomeric SMILESCC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O
InChIInChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1
InChIKeyDRHXTSWSUAJOJZ-FMDGEEDCSA-N

Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count5
Bond Count28
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03747 
NameN-Acetyl-glucosamine thiazoline
Groups experimental
DescriptionN-Acetyl-glucosamine thiazoline (NAG-thiazoline) is an analog of the oxazolinium bicyclic intermediate leading from N-acetylglucosamine to 1,6-anhydro-N-acetylmuramic acid.
Synonyms
  • N-Acetyl-glucosamine thiazoline
  • NAG-thiazoline
Categories
  • Amino Sugars
  • Carbohydrates
  • Hexosamines
  • Sulfur Compounds
CAS number179030-22-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-hexosaminidase subunit betaMELCGLGLPRPPMLLALLLATLLAAMLALLTQVALVVQVAEAARAPSVSA...unknown
B-N-acetylhexosaminidaseMTTGAAPDRKAPVRPTPLDRVIPAPASVDPGGAPYRITRGTHIRVDDSRE...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
Pharos CHEMBL257158
PubChem 5289024
ChEMBL CHEMBL257158
CCDC/CSD JOBGUD