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CHEBI:28094 - 2,2,2-trichloroethanol

ChEBI IDCHEBI:28094
ChEBI Name2,2,2-trichloroethanol
Stars
Secondary ChEBI IDsCHEBI:9685, CHEBI:27098
Last Modified27 January 2016
DownloadsMolfile
FormulaC2H3Cl3O
Net Charge0
Average Mass149.404
Monoisotopic Mass147.92495
SMILESOCC(Cl)(Cl)Cl
InChIInChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
InChIKeyKPWDGTGXUYRARH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2,2,2-trichloroethanol (CHEBI:28094) has role mouse metabolite (CHEBI:75771)
2,2,2-trichloroethanol (CHEBI:28094) is a chloroethanol (CHEBI:23141)
IUPAC Name 
2,2,2-trichloroethanol
Synonyms  Source
TrichloroethanolKEGG COMPOUND
2,2,2-TrichloroethanolKEGG COMPOUND
2,2,2-trichloro-1-ethanolNIST Chemistry WebBook
Manual XrefsDatabases
C07490KEGG COMPOUND
c0015UM-BBD
Registry NumbersSources
Gmelin:2407Gmelin
Beilstein:1697495Beilstein
CAS:115-20-8KEGG COMPOUND
CAS:115-20-8ChemIDplus
CAS:115-20-8NIST Chemistry WebBook