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CHEBI:48814 - trichloroacetaldehyde

ChEBI IDCHEBI:48814
ChEBI Nametrichloroacetaldehyde
Stars
DefinitionAn organochlorine compound that consists of acetaldehyde where all the methyl hydrogens are replaced by chloro groups.
Secondary ChEBI IDsCHEBI:34621, CHEBI:48812
Last Modified5 October 2023
DownloadsMolfile
FormulaC2HCl3O
Net Charge0
Average Mass147.388
Monoisotopic Mass145.90930
SMILES[H]C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
InChIKeyHFFLGKNGCAIQMO-UHFFFAOYSA-N
Wikipedia
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)
trichloroacetaldehyde (CHEBI:48814) has functional parent acetaldehyde (CHEBI:15343)
trichloroacetaldehyde (CHEBI:48814) has role mouse metabolite (CHEBI:75771)
trichloroacetaldehyde (CHEBI:48814) is a aldehyde (CHEBI:17478)
trichloroacetaldehyde (CHEBI:48814) is a organochlorine compound (CHEBI:36683)
Incoming Relation(s)
salubrinal (CHEBI:131923) has functional parent trichloroacetaldehyde (CHEBI:48814)
IUPAC Name 
trichloroacetaldehyde
Synonyms  Source
ChloralKEGG COMPOUND
TrichloroacetaldehydeKEGG COMPOUND
TRI-CHLORO-ACETALDEHYDEPDBeChem
2,2,2-trichloroethanalNIST Chemistry WebBook
Manual XrefsDatabases
C14866KEGG COMPOUND
CLXPDBeChem
ChloralWikipedia
DB02650DrugBank
CN102030623Patent
CN102108046Patent
Registry NumbersSources
Beilstein:506422Beilstein
Reaxys:506422Reaxys
CAS:75-87-6KEGG COMPOUND
CAS:75-87-6ChemIDplus
CAS:75-87-6NIST Chemistry WebBook
Citations