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CHEBI:87248 - ethyl glucuronide

ChEBI IDCHEBI:87248
ChEBI Nameethyl glucuronide
Stars
DefinitionA β-D-glucosiduronic acid that is the ethyl derivative of β-D-glucuronic acid.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC8H14O7
Net Charge0
Average Mass222.193
Monoisotopic Mass222.07395
SMILESCCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1
InChIKeyIWJBVMJWSPZNJH-UQGZVRACSA-N
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
ethyl glucuronide (CHEBI:87248) has role human urinary metabolite (CHEBI:84087)
ethyl glucuronide (CHEBI:87248) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
ethyl β-D-glucopyranosiduronic acid
Manual XrefsDatabases
HMDB0010325HMDB
Registry NumbersSources
Reaxys:1247465Reaxys
CAS:17685-04-0ChemIDplus
Citations