Methyl 2,3,4-tri-O-acetyl-alpha-D-glucopyranuronate (CHEBI:189179)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189179 - Methyl 2,3,4-tri-O-acetyl-alpha-D-glucopyranuronate

Take structure to advanced search

ChEBI ID	CHEBI:189179
ChEBI Name	Methyl 2,3,4-tri-O-acetyl-alpha-D-glucopyranuronate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H18O10
Net Charge	0
Average Mass	334.277
Monoisotopic Mass	334.09000
SMILES	COC(=O)[C@H]1O[C@H](O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChI	InChI=1S/C13H18O10/c1-5(14)20-8-9(21-6(2)15)11(22-7(3)16)13(18)23-10(8)12(17)19-4/h8-11,13,18H,1-4H3/t8-,9-,10-,11+,13-/m0/s1
InChIKey	CLHFNXQWJBTGBL-OBBGECFZSA-N

Species of Metabolite	Component	Source	Comments
Arabidopsis thaliana (ncbitaxon:3702)	leaf (BTO:0000713)	MetaboLights (MTBLS3997)

ChEBI Ontology

Outgoing Relation(s)
	Methyl 2,3,4-tri-O-acetyl-alpha-D-glucopyranuronate (CHEBI:189179) is a carbohydrate acid derivative (CHEBI:63436)

IUPAC Name
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-hydroxyoxane-2-carboxylate

Manual Xrefs	Databases
8580059	ChemSpider