2-Thiophenecarboxaldehyde (BioDeep_00000017707)

 

Secondary id: BioDeep_00000615827, BioDeep_00000872189

human metabolite PANOMIX_OTCML-2023 Endogenous Volatile Flavor Compounds


代谢物信息卡片


1H-PYRROLE, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-[TRIS(1-METHYLETHYL)SILYL]-

化学式: C5H4OS (111.9982854)
中文名称: 2-噻吩甲醛, 噻吩-2-甲醛
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 1.04%

分子结构信息

SMILES: C1=CSC(=C1)C=O
InChI: InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H

描述信息

Formylthiophene is an aldehyde that is thiophene substituted by a formyl group at position 2. It has a role as a metabolite. It is a member of thiophenes and an aldehyde.
Thiophene-2-carbaldehyde is a natural product found in Coffea arabica, Sergia lucens, and Capparis spinosa with data available.
An aldehyde that is thiophene substituted by a formyl group at position 2.
2-Thiophenecarboxaldehyde is a flavour ingredien
COVID info from PDB, Protein Data Bank
Flavour ingredient
Corona-virus
Coronavirus
SARS-CoV-2
COVID-19
SARS-CoV
COVID19
SARS2
SARS
2-Thiophenecarboxaldehyde is an endogenous metabolite.

同义名列表

66 个代谢物同义名

1H-PYRROLE, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-[TRIS(1-METHYLETHYL)SILYL]-; 2-Thiophenecarboxaldehyde, (stabilized with HQ); PYRANTEL EMBONATE IMPURITY C [EP IMPURITY]; InChI=1/C5H4OS/c6-4-5-2-1-3-7-5/h1-4; THIOPHENEALDEHYDE [USP IMPURITY]; 2-Thiophenecarboxaldehyde, 98\\%; .alpha.-Thiophenecarboxaldehyde; alpha -thiophenecarboxaldehyde; alpha-Thiophenecarboxaldehyde; 2-thiophene carboxyaldehyde; thiophene-o-carboxaldehyde; 2-Carboxaldehyde-thiophene; 2-thiophene-carboxaldehyde; thiopbene-2-carboxaldehyde; Thiophene-2-carboxaldehyde; 2-thiophene carboxaldehyde; thiophen-2-carboxaldehyde; 2-Thiophenecarboxaldehyde; 2-THIOFURANCARBOXALDEHYDE; Thiophene-2-carbaldehyde; 2-thiophene carbaldehyde; Thiophenecarbox-aldehyde; thiophene 2-carbaldehyde; 2-thiophencarboxaldehyde; .ALPHA.-THIOPHENALDEHYDE; thiophene carboxaldehyde; thiophenecarboxaldehyde; .alpha.-Formylthiophene; thiophen 2-carbaldehyde; 2-Thiophenecarbaldehyde; 2-Thienylcarboxaldehyde; thiophen-2-carbaldehyde; Pyrantel impurity C CRS; thiophen-2 carbaldehyde; 2-thiophencarbaldehyde; alpha -formylthiophene; 2-THIENYLCARBALDEHYDE; 2-Thiophenic aldehyde; alpha-Formylthiophene; Thiophene-2-aldehyde; 2-thiophene-aldehyde; 2-thiophene aldehyde; thien-2-carbaldehyde; thiophen-2-aldehyde; 2-Thiophenealdehyde; 2-Thiophenaldehyde; 2-formyl-thiophene; 2-FORMYLTHIOPHENE; Α-formylthiophene; thiophenealdehyde; a-Formylthiophene; 2-FORMYLTHIOFURAN; 2-Thienylaldehyde; thiophenaldehyde; thien-2-aldehyde; formylthiophene; 2-Thienaldehyde; a-Thenaldehyde; 2-Thenaldehyde; WLN: T5SJ BVH; Thenaldehyde; THIOFURFURAL; IW05BB9XBM; AI3-16611; 2-thienal; 2-Thiophenecarboxaldehyde



数据库引用编号

14 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)

6 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

  • Simone K Huber, Georg Höfner, Klaus T Wanner. Application of the concept of oxime library screening by mass spectrometry (MS) binding assays to pyrrolidine-3-carboxylic acid derivatives as potential inhibitors of γ-aminobutyric acid transporter 1 (GAT1). Bioorganic & medicinal chemistry. 2019 07; 27(13):2753-2763. doi: 10.1016/j.bmc.2019.05.001. [PMID: 31097402]
  • Tobias J Hauke, Thomas Wein, Georg Höfner, Klaus T Wanner. Novel Allosteric Ligands of γ-Aminobutyric Acid Transporter 1 (GAT1) by MS Based Screening of Pseudostatic Hydrazone Libraries. Journal of medicinal chemistry. 2018 11; 61(22):10310-10332. doi: 10.1021/acs.jmedchem.8b01602. [PMID: 30376325]
  • 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]
  • Rosana A S Fonseca, Joilson Ramos-Jesus, Lauro T Kubota, Rosa F Dutra. A nanostructured piezoelectric immunosensor for detection of human cardiac troponin T. Sensors (Basel, Switzerland). 2011; 11(11):10785-97. doi: 10.3390/s111110785. [PMID: 22346671]
  • Mohammad Reza Jamali, Yaghoub Assadi, Farzaneh Shemirani, Masoud Salavati-Niasari. Application of thiophene-2-carbaldehyde-modified mesoporous silica as a new sorbent for separation and preconcentration of palladium prior to inductively coupled plasma atomic emission spectrometric determination. Talanta. 2007 Mar; 71(4):1524-9. doi: 10.1016/j.talanta.2006.07.034. [PMID: 19071486]
  • Jingmin Zeng, Michael J Davies. Evidence for the formation of adducts and S-(carboxymethyl)cysteine on reaction of alpha-dicarbonyl compounds with thiol groups on amino acids, peptides, and proteins. Chemical research in toxicology. 2005 Aug; 18(8):1232-41. doi: 10.1021/tx050074u. [PMID: 16097796]