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CHEBI:53688 - methyl β-D-glucuronoside

ChEBI IDCHEBI:53688
ChEBI Namemethyl β-D-glucuronoside
Stars
ASCII Namemethyl beta-D-glucuronoside
DefinitionA derivative of β-D-glucuronic acid in which a methyl group is present at the anomeric position.
Last Modified17 January 2014
SubmitterSteve
DownloadsMolfile
FormulaC7H12O7
Net Charge0
Average Mass208.166
Monoisotopic Mass208.05830
SMILESCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/1,1,0/[a2122A-1b_1-5_1*OC]/1/
InChIInChI=1S/C7H12O7/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4+,5-,7+/m0/s1
InChIKeyBOFXVYGDIRCHEQ-GHQVIJFQSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
methyl β-D-glucuronoside (CHEBI:53688) has functional parent β-D-glucuronic acid (CHEBI:28860)
methyl β-D-glucuronoside (CHEBI:53688) is a D-glucuronic acid (CHEBI:4178)
IUPAC Name 
methyl β-D-glucuronoside
Synonyms  Source
Methyl beta-glucuronideChemIDplus
Methylglucopyranosiduronic acidChemIDplus
Methyl-beta-D-glucopyranosiduronic acidChemIDplus
O1-methyl-β-D-glucopyranuronic acidChEBI
methyl β-D-glucopyranosiduronic acidChEBI
Registry NumbersSources
Reaxys:84757Reaxys
CAS:4356-84-7ChemIDplus
Citations