Chemical Component Summary

NameMETHYL N-ACETYL ALLOSAMINE
Synonyms(4R,5R,6R)-6-(HYDROXYMETHYL)-2-(METHYLENEAMINO)-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA[D][1,3]OXAZOLE-4,5-DIOL
Identifiers(3aR,4R,5R,6R,6aS)-6-(hydroxymethyl)-2-(methylideneamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol
FormulaC8 H12 N2 O4
Molecular Weight200.192
TypeNON-POLYMER
Isomeric SMILESC=NC1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O
InChIInChI=1S/C8H12N2O4/c1-9-8-10-4-6(13)5(12)3(2-11)7(4)14-8/h3-7,11-13H,1-2H2/t3-,4-,5-,6-,7+/m1/s1
InChIKeyYJMIXNAZGREWGZ-GKHCUFPYSA-N

Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count5
Bond Count27
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03539 
Name2-(Acetylamino)-2-Deoxy-6-O-Methyl-Alpha-D-Allopyranose
Groups experimental
Synonyms2-(Acetylamino)-2-Deoxy-6-O-Methyl-Alpha-D-Allopyranose

Drug Targets

NameTarget SequencePharmacological ActionActions
Chitotriosidase-1MVRSVAWAGFMVLLMIPWGSAAKLVCYFTNWAQYRQGEARFLPKDLDPSL...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 5287668