4-O-alpha-D-glucopyranosylmoranoline (CHEBI:70736)

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CHEBI:70736 - 4-O-α-D-glucopyranosylmoranoline

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ChEBI ID	CHEBI:70736
ChEBI Name	4-O-α-D-glucopyranosylmoranoline
Stars
ASCII Name	4-O-alpha-D-glucopyranosylmoranoline
Definition	A monosaccharide derivative that is (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol having an α-D-glucosyl residue attached at position 4.
Last Modified	8 November 2012
Submitter	mwilliams
Downloads	Molfile

Formula	C12H23NO9
Net Charge	0
Average Mass	325.314
Monoisotopic Mass	325.13728
SMILES	OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C12H23NO9/c14-2-4-11(7(17)5(16)1-13-4)22-12-10(20)9(19)8(18)6(3-15)21-12/h4-20H,1-3H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-/m1/s1
InChIKey	GNVIYGFSOIHFHK-NIKVEEOSSA-N

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	4-O-α-D-glucopyranosylmoranoline (CHEBI:70736) has functional parent duvoglustat (CHEBI:44369)
	4-O-α-D-glucopyranosylmoranoline (CHEBI:70736) has functional parent α-D-glucose (CHEBI:17925)
	4-O-α-D-glucopyranosylmoranoline (CHEBI:70736) has role metabolite (CHEBI:25212)
	4-O-α-D-glucopyranosylmoranoline (CHEBI:70736) is a monosaccharide derivative (CHEBI:63367)
	4-O-α-D-glucopyranosylmoranoline (CHEBI:70736) is a α-D-glucoside (CHEBI:22390)

IUPAC Name
(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl α-D-glucopyranoside

Synonym	Source
α-D-glucopyranosyl-(1→4)-1-deoxynojirimycin	ChEBI

Registry Numbers	Sources
Reaxys:5569174	Reaxys
CAS:80312-32-9	Reaxys

Citations