2-Methylthiophene (BioDeep_00000017698)

 

Secondary id: BioDeep_00000618213

human metabolite PANOMIX_OTCML-2023 Volatile Flavor Compounds natural product


代谢物信息卡片


2-Methylthiophene, certified reference material, TraceCERT(R)

化学式: C5H6S (98.0190196)
中文名称: 2-甲基噻吩
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 25%

分子结构信息

SMILES: CC1=CC=CS1
InChI: InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3

描述信息

2-methylthiophene is a member of the class of thiophenes that is thiophene in which the hydrogen atom at position 2 is substituted by a methyl group. It has a role as a flavouring agent and a Maillard reaction product. It is a member of thiophenes and a volatile organic compound. It is functionally related to a thiophene.
2-Methylthiophene is a natural product found in Psidium guajava, Xanthopappus subacaulis, and Solanum lycopersicum with data available.
2-methylthiophene is a metabolite found in or produced by Saccharomyces cerevisiae.
2-Methylthiophene, also known as 2-thiotolene, belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. 2-Methylthiophene is possibly neutral. 2-Methylthiophene is an alliaceous, green, and onion tasting compound. 2-Methylthiophene has been detected, but not quantified, in several different foods, such as blackberries, coffee and coffee products, evergreen blackberries, and guava.
Maillard product; present in roast beef and coffee aromas. 2-Methylthiophene is found in coffee and coffee products, animal foods, and guava.
4-Methylthiophene is?an intermediate?used?in?the?synthesis?of?the?aromatic sulfur compounds[1].
4-Methylthiophene is?an intermediate?used?in?the?synthesis?of?the?aromatic sulfur compounds[1].

同义名列表

20 个代谢物同义名

2-Methylthiophene, certified reference material, TraceCERT(R); 2-Methylthiophene, analytical standard; InChI=1/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H; 2-Methylthiacyclopentadiene; .ALPHA.-METHYLTHIOPHENE; 2-Methylthiophene, 98\\%; alpha-Methylthiophene; Thiophene, 2-methyl-; 5-Methyl-2-thiophene; 2-methyl thiophene; 2-methyl-thiophene; Thiophene, methyl-; 2-Methylthiophene; 2-methylthiophen; 2-thiotolene; a-Thiotolene; methylthiol; AI3-15911; C5H6S; 2-Methylthiophene



数据库引用编号

12 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)

15 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

  • Klaus Grossmann, Johannes Hutzler, Stefan Tresch, Nicole Christiansen, Ralf Looser, Thomas Ehrhardt. On the mode of action of the herbicides cinmethylin and 5-benzyloxymethyl-1, 2-isoxazolines: putative inhibitors of plant tyrosine aminotransferase. Pest management science. 2012 Mar; 68(3):482-92. doi: 10.1002/ps.2319. [PMID: 22076790]
  • Yongxia Xu, Qingchan Chen, Shengjiao Lei, Peng Wu, Gang Fan, Xiaoyun Xu, Siyi Pan. Effects of lard on the formation of volatiles from the Maillard reaction of cysteine with xylose. Journal of the science of food and agriculture. 2011 Sep; 91(12):2241-6. doi: 10.1002/jsfa.4445. [PMID: 21618545]