2,4-Dichlorophenol (BioDeep_00000003058)
Secondary id: BioDeep_00000405590
human metabolite PANOMIX_OTCML-2023 Endogenous blood metabolite
代谢物信息卡片
化学式: C6H4Cl2O (161.9639)
中文名称: 2,4-二氯苯酚, 2,4-二氯酚
谱图信息:
最多检出来源 Homo sapiens(blood) 33.57%
分子结构信息
SMILES: C1=CC(=C(C=C1Cl)Cl)O
InChI: InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
描述信息
CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13281; ORIGINAL_PRECURSOR_SCAN_NO 13277
CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13308; ORIGINAL_PRECURSOR_SCAN_NO 13303
CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13388; ORIGINAL_PRECURSOR_SCAN_NO 13386
CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13208; ORIGINAL_PRECURSOR_SCAN_NO 13205
CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13179; ORIGINAL_PRECURSOR_SCAN_NO 13176
CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4788; ORIGINAL_PRECURSOR_SCAN_NO 4787
CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4687; ORIGINAL_PRECURSOR_SCAN_NO 4686
CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4701; ORIGINAL_PRECURSOR_SCAN_NO 4700
CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4705; ORIGINAL_PRECURSOR_SCAN_NO 4704
CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4715; ORIGINAL_PRECURSOR_SCAN_NO 4713
CONFIDENCE standard compound; INTERNAL_ID 797; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4673; ORIGINAL_PRECURSOR_SCAN_NO 4672
2,4-Dichlorophenol is a chlorinated organic chemical due to environmental exposure, that can be detected in breast milk. The free species of phenols and chlorinated organic appear to be most prevalent in milk. (PMID 16377264 ) [HMDB]
2,4-Dichlorophenol is a chlorinated organic chemical due to environmental exposure, that can be detected in breast milk. The free species of phenols and chlorinated organic appear to be most prevalent in milk. (PMID 16377264 ).
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8642
同义名列表
12 个代谢物同义名
2,4-Dichlorophenol, 14C-labeled CPD; 1,3-dichloro-4-Hydroxybenzene; 2,4-Dichlorophenol potassium; 2,4-Dichlorophenol sodium; 2,4-Dichlorophenic acid; 2,4-dichloro-Phenol; 2,4-Dichlorophenate; 2,4-DICHLOROPHENOL; 4,6-Dichlorophenol; 24-Dichlorophenol; 2,4-Dichlorophenol; 2,4-Dichlorophenol
数据库引用编号
29 个数据库交叉引用编号
- ChEBI: CHEBI:16738
- KEGG: C02625
- PubChem: 8449
- HMDB: HMDB0004811
- Metlin: METLIN7075
- ChEMBL: CHEMBL1143
- Wikipedia: 2,4-Dichlorophenol
- MetaCyc: 24-DICHLOROPHENOL
- foodb: FDB023422
- chemspider: 8140
- CAS: 120-83-2
- MoNA: LU079756
- MoNA: LU079701
- MoNA: LU079753
- MoNA: LU079703
- MoNA: LU079705
- MoNA: LU079702
- MoNA: SM864251
- MoNA: LU079706
- MoNA: LU079751
- MoNA: LU079754
- MoNA: LU079752
- MoNA: LU079755
- PMhub: MS000007871
- PubChem: 5607
- PDB-CCD: 5JC
- NIKKAJI: J2.005B
- RefMet: 2,4-Dichlorophenol
- KNApSAcK: 16738
分类词条
相关代谢途径
Reactome(0)
PlantCyc(0)
代谢反应
1 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(1)
- 2,4-dichlorophenoxyacetate degradation:
2,4-dichlorophenoxyacetate + 2-oxoglutarate + O2 ⟶ 2,4-dichlorophenol + CO2 + glyoxylate + succinate
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
- Osayimwen Imade, Bobola V Ilesanmi, Germaine O Ogunwole, Olusola O Elekofehinti, Marília Cristina Oliveira Souza, Fernando Barbosa, Chris O Adedire, Joseph A Adeyemi. Effects of 2,4-dichlorophenol on non-specific immunity, histopathological lesions, and redox balance in African Catfish, clarias gariepinus (Burchell, 1822).
Journal of toxicology and environmental health. Part A.
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Environmental pollution (Barking, Essex : 1987).
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