EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:143857 - 1,2,3,4-tetrachlorobutane

ChEBI IDCHEBI:143857
ChEBI Name1,2,3,4-tetrachlorobutane
Stars
DefinitionA chloroalkane that is butane substituted by chloro groups at positions 1,2,3 and 4.
Last Modified4 June 2019
Submittermwilliams
DownloadsMolfile
FormulaC4H6Cl4
Net Charge0
Average Mass195.904
Monoisotopic Mass193.92236
SMILESClCC(Cl)C(Cl)CCl
InChIInChI=1S/C4H6Cl4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2
InChIKeyIXZVKECRTHXEEW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (30531924)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1,2,3,4-tetrachlorobutane (CHEBI:143857) has role human metabolite (CHEBI:77746)
1,2,3,4-tetrachlorobutane (CHEBI:143857) is a chloroalkane (CHEBI:23128)
1,2,3,4-tetrachlorobutane (CHEBI:143857) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
1,2,3,4-tetrachlorobutane
Registry NumbersSources
CAS:3405-32-1ChemIDplus
Citations