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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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
145.90930
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
).
View more via ChEBI Ontology
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
Type
Source
14975357
PubMed citation
Europe PMC
Last Modified
05 October 2023