Simazine (BioDeep_00000001181)
Secondary id: BioDeep_00000408997
human metabolite blood metabolite Industrial Pollutants
代谢物信息卡片
化学式: C7H12ClN5 (201.0781)
中文名称: 西玛津
谱图信息:
最多检出来源 Homo sapiens(blood) 36.65%
分子结构信息
SMILES: c1(nc(nc(n1)Cl)NCC)NCC
InChI: InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
描述信息
CONFIDENCE standard compound; INTERNAL_ID 858; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8025; ORIGINAL_PRECURSOR_SCAN_NO 8021
CONFIDENCE standard compound; INTERNAL_ID 858; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8027; ORIGINAL_PRECURSOR_SCAN_NO 8026
CONFIDENCE standard compound; INTERNAL_ID 858; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7974; ORIGINAL_PRECURSOR_SCAN_NO 7973
CONFIDENCE standard compound; INTERNAL_ID 858; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8043; ORIGINAL_PRECURSOR_SCAN_NO 8040
CONFIDENCE standard compound; INTERNAL_ID 858; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7976; ORIGINAL_PRECURSOR_SCAN_NO 7974
CONFIDENCE standard compound; INTERNAL_ID 858; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8014; ORIGINAL_PRECURSOR_SCAN_NO 8012
This spectrum was originally uploaded as desethylterbutylazine and corrected to simazine upon expert review; CONFIDENCE standard compound; INTERNAL_ID 4041
CONFIDENCE standard compound; EAWAG_UCHEM_ID 262
CONFIDENCE standard compound; INTERNAL_ID 4041
CONFIDENCE standard compound; INTERNAL_ID 8419
CONFIDENCE standard compound; INTERNAL_ID 3141
D010575 - Pesticides > D006540 - Herbicides
D016573 - Agrochemicals
同义名列表
18 个代谢物同义名
N-[6-chloro-4-(ethylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]ethan-1-amine; N-[4-chloro-6-(ethylimino)-1,3-dihydro-1,3,5-triazin-2-ylidene]ethanamine; 6-Chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine; 6-Chloro-N,n-diethyl-[1,3,5]triazin-2,4-diamine; 2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine; 2,4-Bis(ethylamino)-6-chloro-1,3,5-triazine; 2,4-Bis(ethylamino)-6-chloro-S-triazine; 2-Chloro-4,6-bis(ethylamino)-S-triazine; Herbazin-50; Herbazin 50; Herbazin50; simazine; Princep; Gesatop; Simanex; SMZ; Simazine; Simazine
数据库引用编号
50 个数据库交叉引用编号
- ChEBI: CHEBI:27496
- KEGG: C11172
- PubChem: 5216
- HMDB: HMDB0258294
- Metlin: METLIN44581
- ChEMBL: CHEMBL1605837
- Wikipedia: Simazine
- MeSH: Simazine
- MetaCyc: CPD-9355
- chemspider: 5027
- CAS: 122-34-9
- MoNA: EA026213
- MoNA: EA026202
- MoNA: EA026206
- MoNA: SM840901
- MoNA: LU085805
- MoNA: EA026203
- MoNA: EA026205
- MoNA: AU314102
- MoNA: EA026208
- MoNA: AU314105
- MoNA: LU085802
- MoNA: EA026210
- MoNA: EA026209
- MoNA: UF404102
- MoNA: LU085806
- MoNA: UF402604
- MoNA: UF402603
- MoNA: LU085801
- MoNA: UF402601
- MoNA: EA026211
- MoNA: AU314101
- MoNA: AU314106
- MoNA: EA026214
- MoNA: EA026207
- MoNA: UF402602
- MoNA: UF404101
- MoNA: EA026212
- MoNA: LU085804
- MoNA: EA026204
- MoNA: UF404103
- MoNA: AU314103
- MoNA: LU085803
- MoNA: EA026201
- MoNA: UF404104
- PMhub: MS000000084
- PubChem: 13354
- NIKKAJI: J2.927K
- RefMet: Simazine
- KNApSAcK: 27496
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
- Carmen Martín, Carmen Fajardo, Gonzalo Costa, Sebastián Sánchez-Fortún, María Dolores San Andrés, Fernando González, Mar Nande, Gerardo Mengs, Margarita Martín. Bioassays to assess the ecotoxicological impact of polyethylene microplastics and two organic pollutants, simazine and ibuprofen.
Chemosphere.
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Molecular pharmacology.
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. [PMID: 31515284] - Gerardo Grasso, Ludovico Caracciolo, Giulia Cocco, Chiara Frazzoli, Roberto Dragone. Towards Simazine Monitoring in Agro-Zootechnical Productions: A Yeast Cell Bioprobe for Real Samples Screening.
Biosensors.
2018 Nov; 8(4):. doi:
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International journal of molecular medicine.
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International journal of molecular sciences.
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2006 Sep; 54(18):6493-500. doi:
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"
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