Methyl isothiocyanate (BioDeep_00000012328)
Secondary id: BioDeep_00001867611
human metabolite Volatile Flavor Compounds
代谢物信息卡片
化学式: C2H3NS (72.9986198)
中文名称: 异硫氰酸甲酯
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CN=C=S
InChI: InChI=1S/C2H3NS/c1-3-2-4/h1H3
描述信息
Methyl isothiocyanate, also known as methyl mustard or trapex, belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. Methyl isothiocyanate is a horseradish, mustard, and pungent tasting compound. Methyl isothiocyanate has been detected, but not quantified, in cabbages and horseradish. This could make methyl isothiocyanate a potential biomarker for the consumption of these foods. Methyl isothiocyanate is a potentially toxic compound.
Isolated from mustard oil, present as glucoside (Methyl glucosinolate
D010575 - Pesticides > D006540 - Herbicides
D000890 - Anti-Infective Agents
D016573 - Agrochemicals
D004202 - Disinfectants
同义名列表
29 个代谢物同义名
Isothiocyanic acid, methyl ester; methylimino-Sulfanylidenemethane; (methylimino)(thioxo)Methane; (methylimino)thioxo-Methane; Isothiocyanatomethane, 9ci; Methyl isothiocyanic acid; isothiocyanato-Methane; Methane isothiocyanate; METHYL ISOTHIOCYANATE; Isothiocyanatomethane; Methyl thioisocyanate; Methylisothiocyanate; Methyl mustard oil; Methyl mustard; Morton ep-161E; Biomet 33; Trapex-40; Trapexide; Tropex; Vorlex; Vortex; Trapex; Mencs; MITC; MIC; MIT; MTC; Methyl isothiocyanate; Methyl isothiocyanate
数据库引用编号
14 个数据库交叉引用编号
- ChEBI: CHEBI:78337
- KEGG: C18587
- PubChem: 11167
- HMDB: HMDB0034106
- Metlin: METLIN72388
- ChEMBL: CHEMBL396000
- Wikipedia: Methyl_isothiocyanate
- KNApSAcK: C00051564
- foodb: FDB012372
- chemspider: 10694
- CAS: 556-61-6
- PMhub: MS000026631
- PubChem: 124489261
- KNApSAcK: 78337
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)
5 个相关的物种来源信息
- 65558 - Capparis spinosa: 10.1021/JF302075W
- 2894885 - Cleome puccionia: 10.1016/0305-1978(92)90053-G
- 1734044 - Corynandra chelidonii:
- 9606 - Homo sapiens: -
- 860718 - Sieruela stricta:
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
- Daqi Zhang, Lirui Ren, Qing Wang, Wenjing Li, Zhaoxin Song, Xi Jin, Wensheng Fang, Dongdong Yan, Yuan Li, Qiuxia Wang, Lin He, Aocheng Cao. Systematic assessment of the antifungal mechanism of soil fumigant methyl isothiocyanate against Fusarium oxysporum.
Environmental pollution (Barking, Essex : 1987).
2024 Jan; 341(?):122791. doi:
10.1016/j.envpol.2023.122791. [PMID: 37940016] - Jiefeng Rong, Meizhu Xu, Zhiyong Zhang, Qiang Zou, Dunming Xu, Jianhai Zhong, Songyan Zhang, Youdong LE, Ziwen She. [Determination of dazomet and its metabolite methyl isothiocyanate residues in plant-derived foods by gas chromatography-triple quadrupole mass spectrometry].
Se pu = Chinese journal of chromatography.
2022 Jul; 40(7):661-668. doi:
10.3724/sp.j.1123.2021.12021. [PMID: 35791605] - O López-Fernández, R Rial-Otero, J Simal-Gándara, J Boned. Dissipation kinetics of pre-plant pesticides in greenhouse-devoted soils.
The Science of the total environment.
2016 Feb; 543(Pt A):1-8. doi:
10.1016/j.scitotenv.2015.10.145. [PMID: 26575632] - Pierluigi Caboni, Giorgia Sarais, Nadhem Aissani, Graziella Tocco, Nicola Sasanelli, Barbara Liori, Annarosa Carta, Alberto Angioni. Nematicidal activity of 2-thiophenecarboxaldehyde and methylisothiocyanate from caper (Capparis spinosa) against Meloidogyne incognita.
Journal of agricultural and food chemistry.
2012 Aug; 60(30):7345-51. doi:
10.1021/jf302075w. [PMID: 22769561] - John E Casida. The greening of pesticide-environment interactions: some personal observations.
Environmental health perspectives.
2012 Apr; 120(4):487-93. doi:
10.1289/ehp.1104405. [PMID: 22472325] - YongLin Ren, Byungho Lee, Benjamin Padovan, Lijun Cai. Ethyl formate plus methyl isothiocyanate--a potential liquid fumigant for stored grains.
Pest management science.
2012 Feb; 68(2):194-201. doi:
10.1002/ps.2244. [PMID: 21780282] - Sener Kurt, Ufuk Güneş, Emine M Soylu. In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
Pest management science.
2011 Jul; 67(7):869-75. doi:
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Biotechnology research international.
2011; 2011(?):710758. doi:
10.4061/2011/710758. [PMID: 21687567] - Mei Lin Wang, Bipin H Avashia, John Wood, Edward L Petsonk. Excessive longitudinal FEV1 decline and risks to future health: a case-control study.
American journal of industrial medicine.
2009 Dec; 52(12):909-15. doi:
10.1002/ajim.20764. [PMID: 19852019] - Shachaf Triky-Dotan, Miriam Austerweil, Bracha Steiner, Yitzhak Peretz-Alon, Jaacov Katan, Abraham Gamliel. Accelerated degradation of metam-sodium in soil and consequences for root-disease management.
Phytopathology.
2009 Apr; 99(4):362-8. doi:
10.1094/phyto-99-4-0362. [PMID: 19271977] - Joris Vriens, Bernd Nilius, Rudi Vennekens. Herbal compounds and toxins modulating TRP channels.
Current neuropharmacology.
2008 Mar; 6(1):79-96. doi:
10.2174/157015908783769644. [PMID: 19305789] - Byron L Candole, Alexander S Csinos, Dong Wang. Distribution and efficacy of drip-applied metam-sodium against the survival of Rhizoctonia solani and yellow nutsedge in plastic-mulched sandy soil beds.
Pest management science.
2007 May; 63(5):468-75. doi:
10.1002/ps.1363. [PMID: 17397113] - W T Runia, L P G Molendijk. Optimization of metam sodium application by rotary spading injection.
Communications in agricultural and applied biological sciences.
2007; 72(3):687-91. doi:
". [PMID: 18399505] - Stephen B Pruett, Ruping Fan, Qiang Zheng. Involvement of three mechanisms in the alteration of cytokine responses by sodium methyldithiocarbamate.
Toxicology and applied pharmacology.
2006 Jun; 213(2):172-8. doi:
10.1016/j.taap.2005.10.004. [PMID: 16321413] - Luis O Ruzo. Physical, chemical and environmental properties of selected chemical alternatives for the pre-plant use of methyl bromide as soil fumigant.
Pest management science.
2006 Feb; 62(2):99-113. doi:
10.1002/ps.1135. [PMID: 16308867] - John N Matthiessen, Mark A Shackleton. Biofumigation: environmental impacts on the biological activity of diverse pure and plant-derived isothiocyanates.
Pest management science.
2005 Nov; 61(11):1043-51. doi:
10.1002/ps.1086. [PMID: 15986402] - Stephen B Pruett, Qiang Zheng, Carlton Schwab, Ruping Fan. Sodium methyldithiocarbamate inhibits MAP kinase activation through toll-like receptor 4, alters cytokine production by mouse peritoneal macrophages, and suppresses innate immunity.
Toxicological sciences : an official journal of the Society of Toxicology.
2005 Sep; 87(1):75-85. doi:
10.1093/toxsci/kfi215. [PMID: 15933225] - Xingdi Chu, Lifang Zhu, Yutang Gao. [Determination of isothiocyanates in human urine by high performance liquid chromatography].
Se pu = Chinese journal of chromatography.
2004 Jan; 22(1):30-2. doi:
NULL. [PMID: 15712940] - D J Johnson, V Amarnath, K Amarnath, H Valentine, W M Valentine. Characterizing the influence of structure and route of exposure on the disposition of dithiocarbamates using toluene-3,4-dithiol analysis of blood and urinary carbon disulfide metabolites.
Toxicological sciences : an official journal of the Society of Toxicology.
2003 Nov; 76(1):65-74. doi:
10.1093/toxsci/kfg226. [PMID: 12972631] - N El Hadiri, M Ammati, M Chgoura, K Mounir. Behavior of methyl isothiocyanate in soils under field conditions in Morocco.
Chemosphere.
2003 Aug; 52(5):927-32. doi:
10.1016/s0045-6535(02)00331-4. [PMID: 12757794] - J M Duniway. Status of chemical alternatives to methyl bromide for pre-plant fumigation of soil.
Phytopathology.
2002 Dec; 92(12):1337-43. doi:
10.1094/phyto.2002.92.12.1337. [PMID: 18943890] - Rong Tsao, Chris J Peterson, Joel R Coats. Glucosinolate breakdown products as insect fumigants and their effect on carbon dioxide emission of insects.
BMC ecology.
2002 Mar; 2(?):5. doi:
10.1186/1472-6785-2-5. [PMID: 11914158] - V Amarnath, K Amarnath, D G Graham, Q Qi, H Valentine, J Zhang, W M Valentine. Identification of a new urinary metabolite of carbon disulfide using an improved method for the determination of 2-thioxothiazolidine-4-carboxylic acid.
Chemical research in toxicology.
2001 Sep; 14(9):1277-83. doi:
10.1021/tx010085x. [PMID: 11559044] - F Kassie, B Laky, E Nobis, M Kundi, S Knasmüller. Genotoxic effects of methyl isothiocyanate.
Mutation research.
2001 Jan; 490(1):1-9. doi:
10.1016/s1383-5718(00)00140-6. [PMID: 11152966] - J N Matthiessen, M A Shackleton. Advantageous attributes of larval whitefringed weevil, Naupactus leucoloma (Coleoptera: Curculionidae) for bioassaying soil fumigants, and responses to pure and plant-derived isothiocyanates.
Bulletin of entomological research.
2000 Aug; 90(4):349-55. doi:
10.1017/s000748530000047x. [PMID: 11020793] - R E Staub, S E Sparks, G B Quistad, J E Casida. S-methylation as a bioactivation mechanism for mono- and dithiocarbamate pesticides as aldehyde dehydrogenase inhibitors.
Chemical research in toxicology.
1995 Dec; 8(8):1063-9. doi:
10.1021/tx00050a010. [PMID: 8605289] - W H Mennicke, K Görler, G Krumbiegel. Metabolism of some naturally occurring isothiocyanates in the rat.
Xenobiotica; the fate of foreign compounds in biological systems.
1983 Apr; 13(4):203-7. doi:
10.3109/00498258309052256. [PMID: 6624135] - A C Buck. Disorders of micturition in bacterial prostatitis.
Proceedings of the Royal Society of Medicine.
1975 Aug; 68(8):508-11. doi:
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