1-Isothiocyanato-6-(methylthio)hexane (BioDeep_00000020156)

   

human metabolite Endogenous


代谢物信息卡片


1-Isothiocyanato-6-(methylsulphanyl)hexane

化学式: C8H15NS2 (189.064587)
中文名称:
谱图信息: 最多检出来源 Anoectochilus roxburghii(viridiplantae) 20%

分子结构信息

SMILES: CSCCCCCCN=C=S
InChI: InChI=1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3

描述信息

1-Isothiocyanato-6-(methylthio)hexane is found in brassicas. Flavour compound of Japanese horseradish (Wasabia japonica

同义名列表

15 个代谢物同义名

1-Isothiocyanato-6-(methylsulphanyl)hexane; 1-isothiocyanato-6-(methylsulfanyl)hexane; (6-Isothiocyanatohexyl)(methyl)sulphane; 1-Isothiocyanato-6-(methylthio)-hexane; (6-Isothiocyanatohexyl)(methyl)sulfane; 6-(Methylthio)hexyl isothiocyanic acid; 1-Isothiocyanato-6-(methylthio)hexane; 6-Isothiocyanatohexyl methyl sulphide; 6-Methylthiohexyl isothiocyanic acid; 6-Isothiocyanatohexyl methyl sulfide; 6-(Methylthio)hexyl isothiocyanate; 6-Methylthiohexyl isothiocyanate; Lesquerellin; 6-MTITC; 6-MHITC



数据库引用编号

9 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)

2 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

  • Yuko Terada, Hideki Masuda, Tatsuo Watanabe. Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard. Journal of natural products. 2015 Aug; 78(8):1937-41. doi: 10.1021/acs.jnatprod.5b00272. [PMID: 26263397]
  • Kunitoshi Uchida, Yosuke Miura, Masashi Nagai, Makoto Tominaga. Isothiocyanates from Wasabia japonica activate transient receptor potential ankyrin 1 channel. Chemical senses. 2012 Nov; 37(9):809-18. doi: 10.1093/chemse/bjs065. [PMID: 22869685]
  • Tomoe Yamada-Kato, Masashi Nagai, Motoko Ohnishi, Kazutoshi Yoshida. Inhibitory effects of wasabi isothiocyanates on chemical mediator release in RBL-2H3 rat basophilic leukemia cells. Journal of nutritional science and vitaminology. 2012; 58(4):303-7. doi: 10.3177/jnsv.58.303. [PMID: 23132316]
  • Young Sun Lee, Jae Ha Yang, Man Jong Bae, Wang Keun Yoo, Shen Ye, Charlie C L Xue, Chun Guang Li. Anti-oxidant and Anti-hypercholesterolemic Activities of Wasabia japonica. Evidence-based complementary and alternative medicine : eCAM. 2010 Dec; 7(4):459-64. doi: 10.1093/ecam/nen038. [PMID: 18955343]
  • Toshiro Noshita, Yumi Kidachi, Hirokazu Funayama, Hiromasa Kiyota, Hideaki Yamaguchi, Kazuo Ryoyama. Anti-nitric oxide production activity of isothiocyanates correlates with their polar surface area rather than their lipophilicity. European journal of medicinal chemistry. 2009 Dec; 44(12):4931-6. doi: 10.1016/j.ejmech.2009.08.005. [PMID: 19716210]
  • T Yano, S Yajima, N Virgona, Y Yano, S Otani, H Kumagai, H Sakurai, M Kishimoto, T Ichikawa. The effect of 6-methylthiohexyl isothiocyanate isolated from Wasabia japonica (wasabi) on 4-(methylnitrosamino)-1-(3-pyridyl)-1-buatnone-induced lung tumorigenesis in mice. Cancer letters. 2000 Jul; 155(2):115-20. doi: 10.1016/s0304-3835(00)00364-5. [PMID: 10822125]