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