trichloroethyl beta-D-glucoside (CHEBI:74542)

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ChEBI Name	trichloroethyl β-D-glucoside

ChEBI ID	CHEBI:74542

ChEBI ASCII Name	trichloroethyl beta-D-glucoside

Definition	A β-D-glucoside in which the anomeric substituent is specified as 2,2,2-trichloroethyl.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H13Cl3O6

Net Charge

Average Mass

311.54400

Monoisotopic Mass

309.97777

InChI

InChI=1S/C8H13Cl3O6/c9-8(10,11)2-16-7-6(15)5(14)4(13)3(1-12)17-7/h3-7,12-15H,1-2H2/t3-,4-,5+,6-,7-/m1/s1

InChIKey

JMIZQJXRDKPSKP-XUUWZHRGSA-N

SMILES

OC[C@H]1O[C@@H](OCC(Cl)(Cl)Cl)[C@H](O)[C@@H](O)[C@@H]1O

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	trichloroethyl β-D-glucoside (CHEBI:74542) has role metabolite (CHEBI:25212) trichloroethyl β-D-glucoside (CHEBI:74542) is a β-D-glucoside (CHEBI:22798) trichloroethyl β-D-glucoside (CHEBI:74542) is a organochlorine compound (CHEBI:36683)

IUPAC Name

2,2,2-trichloroethyl β-D-glucopyranoside

Synonym	Source
2,2,2-trichloroethyl β-D-glucoside	ChEBI

Registry Number	Type	Source
11756	Reaxys Registry Number	Reaxys

Last Modified

30 September 2013