Afugan (BioDeep_00000002054)

 

Secondary id: BioDeep_00001868411

human metabolite blood metabolite Industrial Pollutants Volatile Flavor Compounds


代谢物信息卡片


ethyl 2-{[diethoxy(sulfanylidene)-λ⁵-phosphanyl]oxy}-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

化学式: C14H20N3O5PS (373.08612400000004)
中文名称: 吡菌磷, 吡唑磷
谱图信息: 最多检出来源 Homo sapiens(blood) 1.85%

分子结构信息

SMILES: CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C
InChI: InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 685; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9797; ORIGINAL_PRECURSOR_SCAN_NO 9795
CONFIDENCE standard compound; INTERNAL_ID 685; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9853; ORIGINAL_PRECURSOR_SCAN_NO 9851
CONFIDENCE standard compound; INTERNAL_ID 685; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9899; ORIGINAL_PRECURSOR_SCAN_NO 9895
CONFIDENCE standard compound; INTERNAL_ID 685; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9911; ORIGINAL_PRECURSOR_SCAN_NO 9909
CONFIDENCE standard compound; INTERNAL_ID 685; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9839; ORIGINAL_PRECURSOR_SCAN_NO 9837
CONFIDENCE standard compound; INTERNAL_ID 685; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9884; ORIGINAL_PRECURSOR_SCAN_NO 9882
CONFIDENCE standard compound; INTERNAL_ID 4020
CONFIDENCE standard compound; INTERNAL_ID 8475
CONFIDENCE standard compound; INTERNAL_ID 2604

同义名列表

13 个代谢物同义名

ethyl 2-{[diethoxy(sulfanylidene)-λ⁵-phosphanyl]oxy}-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate; O,O-Diethyl O-(5-methyl-6-(ethoxycarbonyl)-pyrazolo-(1,5-a)-pyrimid-2-yl)-thionophosphoric acid; Ethyl 2-((diethoxyphosphinothioyl)oxy)-5-methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid; O,O-Diethyl O-(5-methyl-6-(ethoxycarbonyl)-pyrazolo-(1,5-a)-pyrimid-2-yl)-thionophosphate; O-6-Ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidin-2-yl O,O-diethyl phosphorothioic acid; Ethyl 2-((diethoxyphosphinothioyl)oxy)-5-methylpyrazolo(1,5-a)pyrimidine-6-carboxylate; Ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid; O-6-Ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidin-2-yl O,O-diethyl phosphorothioate; 2-(O,O-Diethylthionophosphoryl)-5-methyl-6-carbethoxy-pyrazolo-(1,5a)pyrimidine; PYRAZOPHOS; Afugan; PRP; Pyrazophos



数据库引用编号

29 个数据库交叉引用编号

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

  • Sandra Yucra, Kyle Steenland, Arturo Chung, Fredy Choque, Gustavo F Gonzales. Dialkyl phosphate metabolites of organophosphorus in applicators of agricultural pesticides in Majes - Arequipa (Peru). Journal of occupational medicine and toxicology (London, England). 2006 Dec; 1(?):27. doi: 10.1186/1745-6673-1-27. [PMID: 17177990]