5-Chlorobenzotriazole (BioDeep_00000278706)

代谢物信息卡片

5-Chloro-1H-benzotriazole

化学式: C6H4ClN3 (153.0093734)
中文名称: 5-氯苯并三唑
谱图信息: 最多检出来源 Viridiplantae(plant) 75%

分子结构信息

SMILES: C1=CC2=NNN=C2C=C1Cl
InChI: InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)

描述信息

INTERNAL_ID 481; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3764; ORIGINAL_PRECURSOR_SCAN_NO 3760
CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3764; ORIGINAL_PRECURSOR_SCAN_NO 3760
CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3775; ORIGINAL_PRECURSOR_SCAN_NO 3772
CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3732; ORIGINAL_PRECURSOR_SCAN_NO 3728
CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3769; ORIGINAL_PRECURSOR_SCAN_NO 3768
CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3757; ORIGINAL_PRECURSOR_SCAN_NO 3755
CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3755; ORIGINAL_PRECURSOR_SCAN_NO 3753
CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7673; ORIGINAL_PRECURSOR_SCAN_NO 7668
CONFIDENCE standard compound; INTERNAL_ID 481; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7714; ORIGINAL_PRECURSOR_SCAN_NO 7710
CONFIDENCE standard compound; INTERNAL_ID 2308

同义名列表

2 个代谢物同义名

5-Chloro-1H-benzotriazole; 5-Chlorobenzotriazole

数据库引用编号

20 个数据库交叉引用编号

PubChem: 66760
ChEMBL: CHEMBL3187395
CAS: 1185742-20-4
CAS: 94-97-3
MoNA: LU048156
MoNA: LU048155
MoNA: LU048154
MoNA: LU048153
MoNA: LU048152
MoNA: LU048151
MoNA: LU048106
MoNA: LU048105
MoNA: AU230862
MoNA: AU230806
MoNA: AU230805
MoNA: AU230804
MoNA: AU230803
MoNA: AU230802
MoNA: AU230801
PMhub: MS000014606

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

You-Sheng Liu, Guang-Guo Ying, Ali Shareef, Rai S Kookana. Occurrence and removal of benzotriazoles and ultraviolet filters in a municipal wastewater treatment plant. Environmental pollution (Barking, Essex : 1987). 2012 Jun; 165(?):225-32. doi: 10.1016/j.envpol.2011.10.009. [PMID: 22019204]