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

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ChEBI Name 1,2,3,4-tetrachlorobutane ChEBI ID CHEBI:143857 Definition A chloroalkane that is butane substituted by chloro groups at positions 1,2,3 and 4. Stars This entity has been manually annotated by the ChEBI Team. Submitter Mark Williams Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C4H6Cl4 Net Charge 0 Average Mass 195.890 Monoisotopic Mass 193.92236 InChI InChI=1S/C4H6Cl4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2 InChIKey IXZVKECRTHXEEW-UHFFFAOYSA-N SMILES ClC(C(Cl)CCl)CCl Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Number Type Source 3405-32-1 CAS Registry Number ChemIDplus Citation Type Source 30531924 PubMed citation Europe PMC Last Modified 04 June 2019