2-(Methylthio)benzothiazole (BioDeep_00000002952)
Secondary id: BioDeep_00001873866
human metabolite Industrial Pollutants natural product
代谢物信息卡片
化学式: C8H7NS2 (181.002)
中文名称: 2-(甲硫基)苯并噻唑, 2-甲硫基苯并噻唑, 2-（甲硫基）苯并噻唑
谱图信息:
最多检出来源 Homo sapiens(plant) 7.79%
分子结构信息
SMILES: CSc(n1)sc(c2)c(ccc2)1
InChI: InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
描述信息
2-(methylthio)benzothiazole, also known as mtbt, is a member of the class of compounds known as benzothiazoles. Benzothiazoles are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). 2-(methylthio)benzothiazole is practically insoluble (in water) and a moderately basic compound (based on its pKa). 2-(methylthio)benzothiazole can be found in guava, which makes 2-(methylthio)benzothiazole a potential biomarker for the consumption of this food product.
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3646
CONFIDENCE standard compound; INTERNAL_ID 4198
CONFIDENCE standard compound; INTERNAL_ID 4058
CONFIDENCE standard compound; INTERNAL_ID 8817
KEIO_ID M150
同义名列表
11 个代谢物同义名
2-(methylsulfanyl)-1,3-benzothiazole; 2-Methylsulphanyl-1,3-benzothiazole; 2-methylsulfanyl-1,3-benzothiazole; 2-(Methylmercapto)benzothiazole; 2-Methylmercaptobenzothiazole; 2-(Methylthio)benzothiazole; 2-Methylthiobenzothiazole; MTBT; 2-Me-S-BTH; 2-Methylthiobenzothiazole; 2-(Methylthio)benzothiazole
数据库引用编号
36 个数据库交叉引用编号
- ChEBI: CHEBI:1217
- KEGG: C10910
- PubChem: 11989
- HMDB: HMDB0303335
- Metlin: METLIN68679
- ChEMBL: CHEMBL1303065
- foodb: FDB011171
- chemspider: 11494
- CAS: 31621-01-9
- CAS: 64036-43-7
- CAS: 615-22-5
- MoNA: EQ364606
- MoNA: KO003555
- MoNA: EQ364601
- MoNA: EQ364603
- MoNA: SM881701
- MoNA: UF419804
- MoNA: KO003552
- MoNA: KO003554
- MoNA: AU405806
- MoNA: EQ364608
- MoNA: EQ364602
- MoNA: UF419802
- MoNA: EQ364609
- MoNA: EQ364607
- MoNA: KO003553
- MoNA: KO003556
- MoNA: UF419803
- MoNA: EQ364604
- MoNA: EQ364605
- MoNA: UF419801
- PMhub: MS000007323
- PubChem: 13093
- NIKKAJI: J37.327C
- KNApSAcK: 1217
- LOTUS: LTS0181201
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)
17 个相关的物种来源信息
- 7458 - Apidae: LTS0181201
- 7459 - Apis: LTS0181201
- 7461 - Apis cerana: 10.1371/JOURNAL.PONE.0175573
- 7461 - Apis cerana: LTS0181201
- 6656 - Arthropoda: LTS0181201
- 4210 - Asteraceae: LTS0181201
- 13426 - Cichorium: LTS0181201
- 114280 - Cichorium endivia: 10.1021/JF00068A014
- 114280 - Cichorium endivia: LTS0181201
- 2759 - Eukaryota: LTS0181201
- 9606 - Homo sapiens: -
- 50557 - Insecta: LTS0181201
- 3398 - Magnoliopsida: LTS0181201
- 33208 - Metazoa: LTS0181201
- 35493 - Streptophyta: LTS0181201
- 58023 - Tracheophyta: LTS0181201
- 33090 - Viridiplantae: LTS0181201
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
- Víctor Matamoros, Eric Jover, Josep M Bayona. Occurrence and fate of benzothiazoles and benzotriazoles in constructed wetlands.
Water science and technology : a journal of the International Association on Water Pollution Research.
2010; 61(1):191-8. doi:
10.2166/wst.2010.797. [PMID: 20057105]
