CHEBI:147318 - 6-acetyloxy-D-glucuronic acid

ChEBI IDCHEBI:147318
ChEBI Name6-acetyloxy-D-glucuronic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC8H12O8
Net Charge0
Average Mass236.176
Monoisotopic Mass236.05322
SMILESCC(=O)OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/1,1,0/[a2122A-1x_1-5_1*OCC/3=O]/1/
InChIInChI=1S/C8H12O8/c1-2(9)15-8-5(12)3(10)4(11)6(16-8)7(13)14/h3-6,8,10-12H,1H3,(H,13,14)/t3-,4-,5+,6-,8?/m0/s1
InChIKeyKKQGLALOFAYFGV-XWBUKDKVSA-N
Species of MetaboliteComponentSourceComments
Smallanthus sonchifolius (ncbitaxon:185202) leaf lamina (BTO:0000719) PubMed (31511527)
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:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
6-acetyloxy-D-glucuronic acid (CHEBI:147318) is a glucuronic acid (CHEBI:24298)