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CHEBI:16602 - trichloroethene

ChEBI IDCHEBI:16602
ChEBI Nametrichloroethene
Stars
DefinitionA member of the class of chloroethenes that is ethene substituted by chloro groups at positions 1, 1 and 2.
Secondary ChEBI IDsCHEBI:9686, CHEBI:15257, CHEBI:27099
Last Modified29 June 2021
DownloadsMolfile
FormulaC2HCl3
Net Charge0
Average Mass131.389
Monoisotopic Mass129.91438
SMILESClC=C(Cl)Cl
InChIInChI=1S/C2HCl3/c3-1-2(4)5/h1H
InChIKeyXSTXAVWGXDQKEL-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).
Application:
ChEBI Ontology
Outgoing Relation(s)
trichloroethene (CHEBI:16602) has role inhalation anaesthetic (CHEBI:38870)
trichloroethene (CHEBI:16602) has role mouse metabolite (CHEBI:75771)
trichloroethene (CHEBI:16602) is a chloroethenes (CHEBI:23142)
IUPAC Name 
1,1,2-trichloroethene
Synonyms  Source
TrichloroetheneKEGG COMPOUND
TrichloroethyleneKEGG COMPOUND
TCEKEGG COMPOUND
acetylene trichlorideUM-BBD
ethinyl trichlorideUM-BBD
ethylene trichlorideUM-BBD
UniProt Name  Source
trichloroetheneUniProt
Manual XrefsDatabases
C06790KEGG COMPOUND
c0009UM-BBD
HMDB0029593HMDB
TrichloroethyleneWikipedia
LSM-37096LINCS
3628DrugCentral
TCVPDBeChem
Registry NumbersSources
Gmelin:184631Gmelin
Reaxys:1736782Reaxys
CAS:79-01-6KEGG COMPOUND
CAS:79-01-6NIST Chemistry WebBook
CAS:79-01-6ChemIDplus
Citations