1-(3,4-Dichlorophenyl)-3-methylurea (BioDeep_00000270931)

代谢物信息卡片

1-(3,4-DICHLOROPHENYL)-1H-PYRAZOL-3-AMINE

化学式: C8H8Cl2N2O (218.0014)
中文名称: N-(3,4-二氯苯基)-N-甲基尿素
谱图信息: 最多检出来源 Viridiplantae(plant) 100%

分子结构信息

SMILES: CN=C(O)Nc1ccc(Cl)c(Cl)c1
InChI: InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4070; ORIGINAL_PRECURSOR_SCAN_NO 4067
CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4107; ORIGINAL_PRECURSOR_SCAN_NO 4104
CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4080; ORIGINAL_PRECURSOR_SCAN_NO 4078
CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4066; ORIGINAL_PRECURSOR_SCAN_NO 4064
CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8694; ORIGINAL_PRECURSOR_SCAN_NO 8693
CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8700; ORIGINAL_PRECURSOR_SCAN_NO 8699
CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8691; ORIGINAL_PRECURSOR_SCAN_NO 8688
CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8713; ORIGINAL_PRECURSOR_SCAN_NO 8709

同义名列表

3 个代谢物同义名

1-(3,4-DICHLOROPHENYL)-1H-PYRAZOL-3-AMINE; 1-(3,4-Dichlorophenyl)-3-methylurea; N-(3,4-Dichlorophenyl)-N-methylurea

数据库引用编号

13 个数据库交叉引用编号

ChEBI: CHEBI:83466
PubChem: 19113
ChEMBL: CHEMBL3181859
CAS: 3567-62-2
MoNA: LU018754
MoNA: LU018753
MoNA: LU018752
MoNA: LU018751
MoNA: LU018705
MoNA: LU018703
MoNA: LU018702
MoNA: LU018701
PMhub: MS000000732

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。

亚细胞结构定位		关联基因列表

文献列表

Peter R Stork, Frederick R Bennett, Michael J Bell. The environmental fate of diuron under a conventional production regime in a sugarcane farm during the plant cane phase. Pest management science. 2008 Sep; 64(9):954-63. doi: 10.1002/ps.1593. [PMID: 18470961]
J Falandysz, T Albanis, J Bachmann, R Bettinetti, I Bochentin, V Boti, S Bristeau, B Daehne, T Dagnac, S Galassi, R Jeannot, J Oehlmann, A Orlikowska, V Sakkas, R Szczerski, V Valsamaki, U Schulte-Oehlmann. Some chemical contaminant of surface sediments at the Baltic Sea coastal region with special emphasis on androgenic and anti-androgenic compounds. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering. 2006; 41(10):2127-62. doi: 10.1080/10934520600872433. [PMID: 17018405]