1,3-Dithiane (BioDeep_00000019945)

 

Secondary id: BioDeep_00000616988, BioDeep_00000865930, BioDeep_00001874204

human metabolite PANOMIX_OTCML-2023 Endogenous Volatile Flavor Compounds


代谢物信息卡片


1,3 Dithiocyclohexane

化学式: C4H8S2 (120.0067408)
中文名称: 1,3-二噻烷
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 0.68%

分子结构信息

SMILES: C1CSCSC1
InChI: InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2

描述信息

Constituent of garlic and other Allium subspecies 1,3-Dithiane is found in soft-necked garlic and onion-family vegetables.
1,3-Dithiane is found in onion-family vegetables. 1,3-Dithiane is a constituent of garlic and other Allium species
1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].
1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].

同义名列表

8 个代谢物同义名

1,3 Dithiocyclohexane; 1,3-Dithiacyclohexane; m-Dithiane, 8ci; Dithiane-1,3; 1,3-Dithiane; 1,3-Dithian; m-Dithiane; 1,3-Dithiane



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

  • Igor A Schepetkin, Liliya N Kirpotina, Andrei I Khlebnikov, Narayanaganesh Balasubramanian, Mark T Quinn. Neutrophil Immunomodulatory Activity of Natural Organosulfur Compounds. Molecules (Basel, Switzerland). 2019 May; 24(9):. doi: 10.3390/molecules24091809. [PMID: 31083328]
  • Frédéric De Wael, Giulio G Muccioli, Didier M Lambert, Thérèse Sergent, Yves-Jacques Schneider, Jean-François Rees, Jacqueline Marchand-Brynaert. Chemistry around imidazopyrazine and ibuprofen: discovery of novel fatty acid amide hydrolase (FAAH) inhibitors. European journal of medicinal chemistry. 2010 Sep; 45(9):3564-74. doi: 10.1016/j.ejmech.2010.04.040. [PMID: 20570023]
  • A Puigvert, D Ruano. [Etiopathogenesis of so-called congenital hydronephrosis]. Journal d'urologie et de nephrologie. 1979 Jan; 85(1-2):1-12. doi: NULL. [PMID: 439196]