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CHEBI:35021 - Trichloroethanol glucuronide

ChEBI IDCHEBI:35021
ChEBI NameTrichloroethanol glucuronide
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC8H11Cl3O7
Net Charge0
Average Mass325.528
Monoisotopic Mass323.95704
SMILESO=C(O)[C@H]1O[C@@H](OCC(Cl)(Cl)Cl)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H11Cl3O7/c9-8(10,11)1-17-7-4(14)2(12)3(13)5(18-7)6(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t2-,3-,4+,5-,7+/m0/s1
InChIKeyIQOASJJGUQMXDW-GHQVIJFQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
Trichloroethanol glucuronide (CHEBI:35021) is a glucosiduronic acid (CHEBI:24302)
Synonyms  Source
Trichloroethanol glucuronideKEGG COMPOUND
Urochloralic acidKEGG COMPOUND
2,2,2-trichloroethyl beta-D-Glucopyranosiduronic acidKEGG COMPOUND
Manual XrefsDatabases
C14869KEGG COMPOUND
HMDB0042049HMDB
Registry NumbersSources
CAS:97-25-6KEGG COMPOUND