4-CHLOROPHENOL (BioDeep_00000413125)

Volatile Flavor Compounds

代谢物信息卡片

4-CHLOROPHENOL

化学式: C6H5ClO (128.002891)
中文名称: 对氯苯酚, 4-氯苯酚
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1=CC(=CC=C1O)Cl
InChI: InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H

描述信息

C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
D000890 - Anti-Infective Agents
CONFIDENCE standard compound; INTERNAL_ID 1064; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3852; ORIGINAL_PRECURSOR_SCAN_NO 3851
CONFIDENCE standard compound; INTERNAL_ID 1064; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4286; ORIGINAL_PRECURSOR_SCAN_NO 4284
CONFIDENCE standard compound; INTERNAL_ID 1064; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4317; ORIGINAL_PRECURSOR_SCAN_NO 4313
CONFIDENCE standard compound; INTERNAL_ID 1064; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4647; ORIGINAL_PRECURSOR_SCAN_NO 4645
CONFIDENCE standard compound; INTERNAL_ID 1064; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4713; ORIGINAL_PRECURSOR_SCAN_NO 4712
CONFIDENCE standard compound; INTERNAL_ID 1064; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4634; ORIGINAL_PRECURSOR_SCAN_NO 4633

同义名列表

3 个代谢物同义名

4-CHLOROPHENOL; 4-Chlorophenol; 4-Chlorophenol

数据库引用编号

19 个数据库交叉引用编号

ChEBI: CHEBI:28078
KEGG: C02124
KEGGdrug: D00149
PubChem: 4684
DrugBank: DB13154
ChEMBL: CHEMBL57053
CAS: 106-48-9
MoNA: LU106456
MoNA: LU106455
MoNA: LU106454
MoNA: LU106453
MoNA: LU106452
MoNA: LU106451
PubChem: 5203
PDB-CCD: 4CH
3DMET: B00391
NIKKAJI: J3.611K
RefMet: 4-Chlorophenol
KNApSAcK: 28078

分类词条

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)

0 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

Xinyi Jiang, Ye Xiao, Jiana Xiao, Weihua Zhang, Qiu Rongliang. The effect of persistent free radicals in sludge derived biochar on p-chlorophenol removal. Chemosphere. 2022 Jun; 297(?):134218. doi: 10.1016/j.chemosphere.2022.134218. [PMID: 35257702]
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Martin Krátký, Šárka Štěpánková, Katarína Vorčáková, Jarmila Vinšová. Investigation of salicylanilide and 4-chlorophenol-based N-monosubstituted carbamates as potential inhibitors of acetyl- and butyrylcholinesterase. Bioorganic chemistry. 2018 10; 80(?):668-673. doi: 10.1016/j.bioorg.2018.07.017. [PMID: 30059892]
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