CHEBI:28094 - 2,2,2-trichloroethanol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,2,2-trichloroethanol
ChEBI ID CHEBI:28094
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9685, CHEBI:27098
Supplier Information
Download Molfile XML SDF
Formula C2H3Cl3O
Net Charge 0
Average Mass 149.40272
Monoisotopic Mass 147.925
InChI InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
InChIKey KPWDGTGXUYRARH-UHFFFAOYSA-N
SMILES OCC(Cl)(Cl)Cl
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2,2,2-trichloro-1-ethanol NIST Chemistry WebBook
2,2,2-Trichloroethanol KEGG COMPOUND
Trichloroethanol KEGG COMPOUND
Database Links Databases
c0015 UM-BBD
C07490 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
115-20-8 CAS Registry Number ChemIDplus
115-20-8 CAS Registry Number NIST Chemistry WebBook
1697495 Beilstein Registry Number Beilstein
2407 Gmelin Registry Number Gmelin
Last Modified
27 January 2016