BROMACIL (BioDeep_00000001141)

   


代谢物信息卡片


BROMACIL

化学式: C9H13BrN2O2 (260.016)
中文名称: 除草定标准溶液
谱图信息: 最多检出来源 Homo sapiens(plant) 6.38%

分子结构信息

SMILES: CCC(C)N(C(=O)1)C(=O)C(Br)=C(C)N1
InChI: InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)

描述信息

D010575 - Pesticides > D006540 - Herbicides
D016573 - Agrochemicals
CONFIDENCE standard compound; INTERNAL_ID 1265; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3915; ORIGINAL_PRECURSOR_SCAN_NO 3912
CONFIDENCE standard compound; INTERNAL_ID 1265; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3781; ORIGINAL_PRECURSOR_SCAN_NO 3780
CONFIDENCE standard compound; INTERNAL_ID 1265; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3766; ORIGINAL_PRECURSOR_SCAN_NO 3764
CONFIDENCE standard compound; INTERNAL_ID 1265; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3789; ORIGINAL_PRECURSOR_SCAN_NO 3784
CONFIDENCE standard compound; INTERNAL_ID 1265; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3917; ORIGINAL_PRECURSOR_SCAN_NO 3915
CONFIDENCE standard compound; INTERNAL_ID 1265; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3887; ORIGINAL_PRECURSOR_SCAN_NO 3886
CONFIDENCE standard compound; EAWAG_UCHEM_ID 266

同义名列表

3 个代谢物同义名

BROMACIL; Bromacil; Bromacil



数据库引用编号

51 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)

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
Cytoplasm 9 ALB, ARHGAP45, CAT, HPGDS, PRPH, SPTAN1, SPX, TBX20, TUBB4B
Nucleus 4 ALB, SLC25A11, TBX20, TUBB4B
cytosol 6 ALB, ARHGAP45, CAT, HPGDS, SPTAN1, TUBB4B
dendrite 1 ADORA2A
centrosome 1 ALB
nucleoplasm 1 HPGDS
Cell membrane 2 ADORA2A, TNF
ruffle membrane 1 ARHGAP45
Cell projection, axon 1 PRPH
Multi-pass membrane protein 3 ADORA2A, PRPH, SLC25A11
Synapse 1 NPS
cell cortex 1 SPTAN1
cell junction 1 SPTAN1
cell surface 3 TFPI, TNF, TPO
glutamatergic synapse 1 ADORA2A
Golgi apparatus 1 ALB
mitochondrial inner membrane 1 SLC25A11
neuronal cell body 2 ADORA2A, TNF
presynaptic membrane 1 ADORA2A
Cytoplasmic vesicle, secretory vesicle 1 SPX
Lysosome 1 SGSH
plasma membrane 9 ADORA2A, ARHGAP45, BCHE, PRPH, SLC25A11, SPTAN1, TFPI, TNF, TPO
presynaptic active zone 1 ADORA2A
Membrane 7 ADORA2A, ARHGAP45, CAT, PRPH, SLC25A11, SPTAN1, TPO
axon 2 CCK, PRPH
caveola 1 TFPI
extracellular exosome 6 ALB, CAT, PRPH, SGSH, SPTAN1, TUBB4B
endoplasmic reticulum 2 ALB, TFPI
extracellular space 7 ALB, BCHE, CCK, SPX, TFPI, TNF, TPO
lysosomal lumen 1 SGSH
mitochondrion 2 CAT, SLC25A11
protein-containing complex 2 ALB, CAT
intracellular membrane-bounded organelle 3 CAT, HPGDS, SPTAN1
Single-pass type I membrane protein 1 TPO
Secreted 4 ALB, BCHE, CCK, TFPI
extracellular region 11 ALB, ARHGAP45, BCHE, CAT, CCK, NPS, SPTAN1, SPX, TFPI, TNF, TUBB4B
mitochondrial matrix 1 CAT
anchoring junction 1 ALB
photoreceptor inner segment 1 PRPH
photoreceptor outer segment 1 PRPH
external side of plasma membrane 1 TNF
Extracellular vesicle 2 SPTAN1, TUBB4B
actin cytoskeleton 1 SPTAN1
perikaryon 1 PRPH
microtubule cytoskeleton 2 SPTAN1, TUBB4B
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
postsynaptic membrane 1 ADORA2A
Cell projection, ruffle membrane 1 ARHGAP45
Mitochondrion inner membrane 1 SLC25A11
Membrane raft 1 TNF
Cytoplasm, cytoskeleton 3 PRPH, SPTAN1, TUBB4B
focal adhesion 1 CAT
microtubule 1 TUBB4B
axolemma 1 ADORA2A
Peroxisome 1 CAT
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
intermediate filament 2 ADORA2A, PRPH
ciliary basal body 1 ALB
chromatin 1 TBX20
cell projection 1 SPTAN1
phagocytic cup 1 TNF
mitotic spindle 1 TUBB4B
cytoskeleton 1 TUBB4B
centriole 1 ALB
Cell projection, cilium, photoreceptor outer segment 1 PRPH
Secreted, extracellular space 1 SPX
spindle pole 1 ALB
Cytoplasm, cell cortex 1 SPTAN1
blood microparticle 2 ALB, BCHE
Lipid-anchor, GPI-anchor 1 TFPI
intercellular bridge 1 TUBB4B
Cytoplasm, cytoskeleton, flagellum axoneme 1 TUBB4B
sperm flagellum 1 TUBB4B
axonemal microtubule 1 TUBB4B
side of membrane 1 TFPI
ficolin-1-rich granule lumen 1 CAT
secretory granule lumen 2 ARHGAP45, CAT
endoplasmic reticulum lumen 2 ALB, BCHE
cortical actin cytoskeleton 1 SPTAN1
platelet alpha granule lumen 1 ALB
specific granule lumen 1 SPTAN1
tertiary granule lumen 1 SPTAN1
dense core granule 1 SPX
transport vesicle 1 SPX
azurophil granule lumen 2 ARHGAP45, TUBB4B
nuclear envelope lumen 1 BCHE
spectrin 1 SPTAN1
type III intermediate filament 1 PRPH
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
catalase complex 1 CAT
asymmetric synapse 1 ADORA2A
[Isoform Beta]: Microsome membrane 1 TFPI
ciliary transition fiber 1 ALB
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF
organelle 1 SPTAN1


文献列表

  • Arnaud Tonnelier, Sandra Coecke, José-Manuel Zaldívar. Screening of chemicals for human bioaccumulative potential with a physiologically based toxicokinetic model. Archives of toxicology. 2012 Mar; 86(3):393-403. doi: 10.1007/s00204-011-0768-0. [PMID: 22089525]
  • P Chris Wilson, Brian J Boman. Characterization of selected organo-nitrogen herbicides in South Florida canals: exposure and risk assessments. The Science of the total environment. 2011 Dec; 412-413(?):119-26. doi: 10.1016/j.scitotenv.2011.09.058. [PMID: 22035558]
  • María Ibáñez, Juan V Sancho, Oscar J Pozo, Félix Hernández. Use of quadrupole time-of-flight mass spectrometry to determine proposed structures of transformation products of the herbicide bromacil after water chlorination. Rapid communications in mass spectrometry : RCM. 2011 Oct; 25(20):3103-13. doi: 10.1002/rcm.5183. [PMID: 21953966]
  • Joseph R Bidwell, Carol Becker, Steve Hensley, Richard Stark, Michael T Meyer. Occurrence of organic wastewater and other contaminants in cave streams in northeastern Oklahoma and northwestern Arkansas. Archives of environmental contamination and toxicology. 2010 Feb; 58(2):286-98. doi: 10.1007/s00244-009-9388-6. [PMID: 19763679]
  • P Chris Wilson, Sandra B Wilson. Toxicity of the herbicides bromacil and simazine to the aquatic macrophyte, Vallisneria americana Michx. Environmental toxicology and chemistry. 2010 Jan; 29(1):201-11. doi: 10.1002/etc.22. [PMID: 20821436]
  • Lance J Schuler, Gary M Rand. Aquatic risk assessment of herbicides in freshwater ecosystems of South Florida. Archives of environmental contamination and toxicology. 2008 May; 54(4):571-83. doi: 10.1007/s00244-007-9085-2. [PMID: 18094912]
  • Asa Bradman, Robin M Whyatt. Characterizing exposures to nonpersistent pesticides during pregnancy and early childhood in the National Children's Study: a review of monitoring and measurement methodologies. Environmental health perspectives. 2005 Aug; 113(8):1092-9. doi: 10.1289/ehp.7769. [PMID: 16079084]
  • Robert A McKelvey, John P Wright, Joy L Honegger. A comparison of crop and non-crop plants as sensitive indicator species for regulatory testing. Pest management science. 2002 Dec; 58(12):1161-74. doi: 10.1002/ps.504. [PMID: 12476989]
  • Lea Muszkat, Leonid Feigelson, Lena Bir, Karol A Muszkat. Photocatalytic degradation of pesticides and bio-molecules in water. Pest management science. 2002 Nov; 58(11):1143-8. doi: 10.1002/ps.578. [PMID: 12449534]
  • T C Mueller, S A Senseman, R D Wauchope, C Clegg, R W Young, L M Southwick, M B Riley, H A Moye, J A Dumas, W Mersie, J D Mattice, R B Leidy. Recovery of atrazine, bromacil, chlorpyrifos, and metolachlor from water samples after concentration on solid-phase extraction disks: interlaboratory study. Journal of AOAC International. 2000 Nov; 83(6):1327-33. doi: . [PMID: 11128134]
  • I Baranowska, C Pieszko. Determination of selected herbicides and phenols in water and soils by solid-phase extraction and high-performance liquid chromatography. Journal of chromatographic science. 2000 May; 38(5):211-8. doi: 10.1093/chromsci/38.5.211. [PMID: 10813519]
  • J Tekel, S Tahotná, S Vaverková. Gas chromatographic method for determination of uracil herbicides in roots of Echinacea angustifolia Moench (Asteraceae). Journal of pharmaceutical and biomedical analysis. 1998 Jan; 16(5):753-8. doi: 10.1016/s0731-7085(97)00118-0. [PMID: 9535186]
  • H Hung, D Mackay. A novel and simple model of the uptake of organic chemicals by vegetation from air and soil. Chemosphere. 1997 Sep; 35(5):959-77. doi: 10.1016/s0045-6535(97)00182-3. [PMID: 9297787]
  • X P Lee, T Kumazawa, K Sato. Rapid extraction and capillary gas chromatography for diazine herbicides in human body fluids. Forensic science international. 1995 Apr; 72(3):199-207. doi: 10.1016/0379-0738(95)01704-m. [PMID: 7750875]
  • S R Sharma, H S Sohi. Influence of herbicides on root rot of French beans (Phaseolus vulgaris L.), caused by Rhizoctonia solani. Zentralblatt fur Mikrobiologie. 1983; 138(5):357-61. doi: . [PMID: 6649952]