2,2',4,4',5,5'-Hexabromodiphenyl ether (BioDeep_00000012105)
Secondary id: BioDeep_00001868637
human metabolite Volatile Flavor Compounds
代谢物信息卡片
1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene
化学式: C12H4Br6O (637.5362293999999)
中文名称: 2,2,4,4,5,5-六溴联苯醚
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: BrC1=CC(Br)=C(Br)C=C1OC1=CC(Br)=C(Br)C=C1Br
InChI: InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H
描述信息
2,2,4,4,5,5-Hexabromodiphenyl ether is classified as a Food Contaminant (code WG) in the DFC.
Classified as a Food Contaminant (code WG) in the DFC
同义名列表
13 个代谢物同义名
1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene; 2,2,4,4,5,5-Hexabrominated diphenyl ether; 1,1-Oxybis[2,4,5-tribromo]benzene, 9ci; 2,2,4,4,5,5-Brominated diphenyl ether; 2,2,4,4,5,5-Hexabromodiphenyl ether; 1,1-Oxybis(2,4,5-tribromobenzene); 1,1-Oxybis(2,4,5-tribromo-benzene; Hexabrominated diphenyl ether 153; 2,2,4,4,5,5-HexaBDE; PBDE 153; BDE-153; BDE 153; 2,2',4,4',5,5'-Hexabromodiphenyl ether
数据库引用编号
14 个数据库交叉引用编号
- ChEBI: CHEBI:81534
- KEGG: C18137
- PubChem: 155166
- HMDB: HMDB0037525
- Metlin: METLIN72055
- ChEMBL: CHEMBL1568307
- foodb: FDB016606
- chemspider: 136695
- CAS: 68631-49-2
- PMhub: MS000026391
- PubChem: 96024354
- NIKKAJI: J201.390H
- RefMet: 2,2',4,4',5,5'-Hexabromodiphenyl ether
- KNApSAcK: 81534
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
0 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
1 个相关的物种来源信息
在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：
- PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
- NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
- Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
- Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。
点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。
文献列表
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Scientific reports.
2020 07; 10(1):12247. doi:
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Chemosphere.
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Journal of exposure science & environmental epidemiology.
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Environmental science & technology.
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2014 Feb; 63(?):182-90. doi:
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Reproductive toxicology (Elmsford, N.Y.).
2014 Jan; 43(?):1-7. doi:
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Chemosphere.
2013 Aug; 92(7):864-9. doi:
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2012 Oct; 47(?):121-30. doi:
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2012 Sep; 45(?):9-14. doi:
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Toxicology and applied pharmacology.
2011 Nov; 257(1):23-31. doi:
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2011 Sep; 34(9):1972-9. doi:
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Environmental science & technology.
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Bulletin of environmental contamination and toxicology.
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2007 Mar; 146(1):188-95. doi:
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Xenobiotica; the fate of foreign compounds in biological systems.
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