CHEBI:48814 - trichloroacetaldehyde

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ChEBI Name trichloroacetaldehyde
ChEBI ID CHEBI:48814
Definition An organochlorine compound that consists of acetaldehyde where all the methyl hydrogens are replaced by chloro groups.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:48812, CHEBI:34621
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Formula C2HCl3O
Net Charge 0
Average Mass 147.38800
Monoisotopic Mass 145.909
InChI InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
InChIKey HFFLGKNGCAIQMO-UHFFFAOYSA-N
SMILES [H]C(=O)C(Cl)(Cl)Cl
Metabolite of Species Details
Mus musculus (NCBI:txid10090) 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).
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ChEBI Ontology
Outgoing 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 salubrinal (CHEBI:131923) has functional parent trichloroacetaldehyde (CHEBI:48814)
IUPAC Name
trichloroacetaldehyde
Synonyms Sources
2,2,2-trichloroethanal NIST Chemistry WebBook
Chloral KEGG COMPOUND
TRI-CHLORO-ACETALDEHYDE PDBeChem
Trichloroacetaldehyde KEGG COMPOUND
Manual Xrefs Databases
C14866 KEGG COMPOUND
Chloral Wikipedia
CLX PDBeChem
CN102030623 Patent
CN102108046 Patent
DB02650 DrugBank
View more database links
Registry Numbers Types Sources
506422 Beilstein Registry Number Beilstein
506422 Reaxys Registry Number Reaxys
75-87-6 CAS Registry Number ChemIDplus
75-87-6 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
14975357 PubMed citation Europe PMC
Last Modified
19 May 2016