Deisopropylatrazine (BioDeep_00000002164)

 

Secondary id: BioDeep_00001867965

human metabolite blood metabolite


代谢物信息卡片


6-chloro-N2-ethyl-1,3,5-triazine-2,4-diamine

化学式: C5H8ClN5 (173.0468)
中文名称: 氟氯氢菊脂
谱图信息: 最多检出来源 Homo sapiens(blood) 22.97%

分子结构信息

SMILES: c1(nc(nc(n1)Cl)N)NCC
InChI: InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6172; ORIGINAL_PRECURSOR_SCAN_NO 6168
CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6175; ORIGINAL_PRECURSOR_SCAN_NO 6173
CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6181; ORIGINAL_PRECURSOR_SCAN_NO 6180
CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6202; ORIGINAL_PRECURSOR_SCAN_NO 6200
CONFIDENCE standard compound; INTERNAL_ID 140; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6192; ORIGINAL_PRECURSOR_SCAN_NO 6191
CONFIDENCE standard compound; EAWAG_UCHEM_ID 287
CONFIDENCE standard compound; INTERNAL_ID 2539
CONFIDENCE standard compound; INTERNAL_ID 3726
CONFIDENCE standard compound; INTERNAL_ID 4030
CONFIDENCE standard compound; INTERNAL_ID 8411
KEIO_ID A203

同义名列表

11 个代谢物同义名

6-chloro-N2-ethyl-1,3,5-triazine-2,4-diamine; 2-chloro-4-(ethylamino)-6-amino-S-Triazine; 2-Amino-4-chloro-6-(ethylamino)-S-triazine; 2-Amino-4-chloro-6-ethylamino-S-triazine; 2-Chloro-4-amino-6-ethylamino-S-triazine; Amino-2-chloro-6-ethylamino-S-triazine; Atrazine-Desisopropyl; Desisopropylatrazine; Deisopropylatrazine; 2-CEAT; Deisopropylatrazine



数据库引用编号

53 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(1)

PlantCyc(0)

代谢反应

3 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(3)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

3 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 6 GAP43, GFAP, HPGDS, NES, PMP2, POMC
Peripheral membrane protein 4 AMBP, CYP1B1, GAP43, MBP
Endoplasmic reticulum membrane 1 CYP1B1
Nucleus 7 ACR, FOS, INTS6, MBP, NEUROG1, PMP2, TRIAP1
cytosol 6 AMBP, FOS, GFAP, HPGDS, MBP, PMP2
dendrite 2 DRD2, GAP43
nucleoplasm 5 CD2, FOS, HPGDS, INTS6, TRIAP1
RNA polymerase II transcription regulator complex 1 FOS
Cell membrane 4 AMBP, CD2, DRD2, GAP43
Cytoplasmic side 2 GAP43, MBP
Cell projection, axon 1 GAP43
Multi-pass membrane protein 1 DRD2
Golgi apparatus membrane 1 DRD2
Synapse 4 CRH, DRD2, GAP43, MBP
cell surface 3 AMBP, CD2, MBP
glutamatergic synapse 1 DRD2
Golgi apparatus 1 CD2
Golgi membrane 2 DRD2, INS
mitochondrial inner membrane 1 AMBP
neuronal cell body 1 MBP
presynaptic membrane 1 DRD2
Cytoplasm, cytosol 1 AMBP
Presynapse 1 GAP43
acrosomal vesicle 1 DRD2
plasma membrane 5 AMBP, CD2, DRD2, GAP43, MBP
synaptic vesicle membrane 1 DRD2
Membrane 1 CYP1B1
axon 1 DRD2
extracellular exosome 3 AMBP, MBP, PMP2
endoplasmic reticulum 2 AMBP, FOS
extracellular space 5 AMBP, CRH, CXCL8, INS, POMC
mitochondrion 2 CYP1B1, TRIAP1
protein-containing complex 4 ACR, CD2, MBP, TRIAP1
intracellular membrane-bounded organelle 2 CYP1B1, HPGDS
Microsome membrane 1 CYP1B1
postsynaptic density 1 GAP43
Single-pass type I membrane protein 1 CD2
Secreted 4 CRH, CXCL8, INS, POMC
extracellular region 8 ACR, AMBP, CD2, CRH, CXCL8, INS, MBP, POMC
cytoplasmic side of plasma membrane 1 CD2
astrocyte end-foot 1 GFAP
ciliary membrane 1 DRD2
Nucleus membrane 1 AMBP
nuclear membrane 1 AMBP
external side of plasma membrane 1 CD2
varicosity 1 CRH
Secreted, extracellular space, extracellular matrix 1 AMBP
actin cytoskeleton 1 INTS6
dendritic spine 1 DRD2
neuronal dense core vesicle lumen 1 CRH
perikaryon 4 CRH, DRD2, GAP43, NEUROG1
cell-cell junction 1 CD2
Golgi-associated vesicle 1 ACR
postsynaptic membrane 1 DRD2
Mitochondrion inner membrane 1 AMBP
GABA-ergic synapse 2 DRD2, GAP43
Mitochondrion intermembrane space 1 TRIAP1
mitochondrial intermembrane space 1 TRIAP1
collagen-containing extracellular matrix 2 AMBP, MBP
secretory granule 1 POMC
intermediate filament 2 GFAP, NES
lateral plasma membrane 1 DRD2
cilium 1 DRD2
chromatin 2 FOS, NEUROG1
cell projection 1 GFAP
cell periphery 1 MBP
[Isoform 3]: Nucleus 1 MBP
blood microparticle 1 AMBP
non-motile cilium 1 DRD2
sperm flagellum 1 DRD2
endosome lumen 1 INS
Cell projection, dendrite 1 GAP43
cell body 1 GFAP
myelin sheath 2 MBP, PMP2
intermediate filament cytoskeleton 2 GFAP, NES
filopodium membrane 1 GAP43
ficolin-1-rich granule lumen 1 MBP
secretory granule lumen 2 INS, POMC
Golgi lumen 1 INS
endoplasmic reticulum lumen 1 INS
nuclear matrix 1 FOS
axon terminus 1 DRD2
endocytic vesicle 1 DRD2
transport vesicle 2 INS, MBP
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 INS
ribonucleoprotein complex 1 ELAVL3
protein-DNA complex 1 FOS
dopaminergic synapse 1 DRD2
Cell projection, filopodium membrane 1 GAP43
cytoplasmic side of lysosomal membrane 1 GFAP
transcription factor AP-1 complex 1 FOS
compact myelin 1 MBP
internode region of axon 1 MBP
[Alpha-1-microglobulin]: Secreted 1 AMBP
[Inter-alpha-trypsin inhibitor light chain]: Secreted 1 AMBP
acrosomal matrix 1 ACR
[Bone marrow proteoglycan]: Secreted 1 MBP
G protein-coupled receptor complex 1 DRD2
Cell projection, growth cone membrane 1 GAP43
growth cone membrane 1 GAP43
Myelin membrane 1 MBP
integrator complex 1 INTS6


文献列表

  • Atlasi Daneshvar, Khadija Aboulfadl, Liza Viglino, Romain Broséus, Sébastien Sauvé, Anne-Sophie Madoux-Humery, Gesa A Weyhenmeyer, Michèle Prévost. Evaluating pharmaceuticals and caffeine as indicators of fecal contamination in drinking water sources of the Greater Montreal region. Chemosphere. 2012 Jun; 88(1):131-9. doi: 10.1016/j.chemosphere.2012.03.016. [PMID: 22475153]
  • Zisis Vryzas, Emmanuel Nikolaos Papadakis, E Papadopoulou-Mourkidou. Leaching of Br-, metolachlor, alachlor, atrazine, deethylatrazine and deisopropylatrazine in clayey vadoze zone: a field scale experiment in north-east Greece. Water research. 2012 Apr; 46(6):1979-89. doi: 10.1016/j.watres.2012.01.021. [PMID: 22325931]
  • Parinya Panuwet, Paula A Restrepo, Melina Magsumbol, Kyung Y Jung, M Angela Montesano, Larry L Needham, Dana Boyd Barr. An improved high-performance liquid chromatography-tandem mass spectrometric method to measure atrazine and its metabolites in human urine. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2010 Apr; 878(13-14):957-62. doi: 10.1016/j.jchromb.2010.02.025. [PMID: 20299293]
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  • Honglin Huang, Shuzhen Zhang, Xiao-quan Shan, Bao-Dong Chen, Yong-Guan Zhu, J Nigel B Bell. Effect of arbuscular mycorrhizal fungus (Glomus caledonium) on the accumulation and metabolism of atrazine in maize (Zea mays L.) and atrazine dissipation in soil. Environmental pollution (Barking, Essex : 1987). 2007 Mar; 146(2):452-7. doi: 10.1016/j.envpol.2006.07.001. [PMID: 16935399]
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  • K Wenger, L Bigler, M J-F Suter, R Schönenberger, S K Gupta, R Schulin. Effect of corn root exudates on the degradation of atrazine and its chlorinated metabolites in soils. Journal of environmental quality. 2005 Nov; 34(6):2187-96. doi: 10.2134/jeq2004.0409. [PMID: 16275720]
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  • Jill M Brzezicki, Melvin E Andersen, Brian K Cranmer, John D Tessari. Quantitative identification of atrazine and its chlorinated metabolites in plasma. Journal of analytical toxicology. 2003 Nov; 27(8):569-73. doi: 10.1093/jat/27.8.569. [PMID: 14670135]
  • Tammy E Stoker, D L Guidici, S C Laws, R L Cooper. The effects of atrazine metabolites on puberty and thyroid function in the male Wistar rat. Toxicological sciences : an official journal of the Society of Toxicology. 2002 Jun; 67(2):198-206. doi: 10.1093/toxsci/67.2.198. [PMID: 12011479]
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