CHEBI:35021 - Trichloroethanol glucuronide

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ChEBI Name Trichloroethanol glucuronide ChEBI ID CHEBI:35021 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H11Cl3O7 Net Charge 0 Average Mass 325.528 Monoisotopic Mass 323.95704 InChI InChI=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 InChIKey IQOASJJGUQMXDW-GHQVIJFQSA-N SMILES O[C@@H]1[C@@H](O)[C@H](OCC(Cl)(Cl)Cl)O[C@@H]([C@H]1O)C(O)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed ChEBI Ontology Outgoing Trichloroethanol glucuronide (CHEBI:35021) is a glucosiduronic acid (CHEBI:24302) Synonyms Sources 2,2,2-trichloroethyl beta-D-Glucopyranosiduronic acid KEGG COMPOUND Trichloroethanol glucuronide KEGG COMPOUND Urochloralic acid KEGG COMPOUND Manual Xrefs Databases C14869 KEGG COMPOUND HMDB0042049 HMDB View more database links Registry Number Type Source 97-25-6 CAS Registry Number KEGG COMPOUND Last Modified 27 January 2016