EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:153547 - methyl α-D-glucopyranuronate

ChEBI IDCHEBI:153547
ChEBI Namemethyl α-D-glucopyranuronate
Stars
ASCII Namemethyl alpha-D-glucopyranuronate
DefinitionA methyl D-glucopyranuronate in which the carbon bearing the anomeric hydroxy group has α configuration.
Last Modified23 June 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H12O7
Net Charge0
Average Mass208.166
Monoisotopic Mass208.05830
SMILESCOC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/1,1,0/[a2122A-1a_1-5_6*OC]/1/
InChIInChI=1S/C7H12O7/c1-13-7(12)5-3(9)2(8)4(10)6(11)14-5/h2-6,8-11H,1H3/t2-,3-,4+,5-,6-/m0/s1
InChIKeyDICCNWCUKCYGNF-QYESYBIKSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl α-D-glucopyranuronate (CHEBI:153547) has functional parent α-D-glucuronic acid (CHEBI:42717)
methyl α-D-glucopyranuronate (CHEBI:153547) is a methyl D-glucopyranuronate (CHEBI:155901)
IUPAC Names 
methyl α-D-glucopyranuronate
α-D-GlcpA6Me
Synonym  Source
methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylateIUPAC
Manual XrefsDatabases
G73698CDGlyTouCan
G73698CDGlyGen