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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:28094 - 2,2,2-trichloroethanol
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ChEBI Ontology
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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
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Formula
C2H3Cl3O
Net Charge
0
Average Mass
149.40272
Monoisotopic Mass
147.92495
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: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
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
Manual Xrefs
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