CHEBI:81584 - 2,2',4,4'-Tetrabromodiphenyl ether

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,2',4,4'-Tetrabromodiphenyl ether
ChEBI ID CHEBI:81584
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H6Br4O
Net Charge 0
Average Mass 485.79100
Monoisotopic Mass 481.71522
InChI InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H
InChIKey XYBSIYMGXVUVGY-UHFFFAOYSA-N
SMILES Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: Report on Human Biomonitoring of Environmental Chemicals in Canada (2010). ISBN 978-1-100-15618-7. Cat no. H128-1/10-601E
ChEBI Ontology
Outgoing 2,2',4,4'-Tetrabromodiphenyl ether (CHEBI:81584) is a aromatic ether (CHEBI:35618)
2,2',4,4'-Tetrabromodiphenyl ether (CHEBI:81584) is a organobromine compound (CHEBI:37141)
Synonyms Sources
1,1'-Oxybis(2,4-dibromo-Benzene HMDB
1,1'-Oxybis(2,4-dibromobenzene) HMDB
1,1'-Oxybis[2,4-dibromobenzene], 9CI HMDB
2,2',4,4'-TetraBDE HMDB
2,2',4,4'-Tetrabromodiphenyl ether HMDB
2,2'4,4'-Tetrabromodiphenyl ether HMDB
2,4-dibromo-1-(2,4-dibromophenoxy)benzene HMDB
BDE 47 KEGG COMPOUND
Dibromophenyl ether HMDB
PBDE 47 KEGG COMPOUND
PBDE-47 HMDB
Manual Xrefs Databases
C18205 KEGG COMPOUND
HMDB0037547 HMDB
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Registry Number Type Source
5436-43-1 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
17937301 PubMed citation Europe PMC
19539352 PubMed citation Europe PMC
21237513 PubMed citation Europe PMC
22885218 PubMed citation Europe PMC
23014954 PubMed citation Europe PMC
Last Modified
23 October 2015