1H-Pyrrole-2-carboxaldehyde (BioDeep_00000017469)

 

Secondary id: BioDeep_00000620211, BioDeep_00000863946

human metabolite PANOMIX_OTCML-2023 Volatile Flavor Compounds


代谢物信息卡片


1H-Pyrrole-2-carboxaldehyde,radical ion(1-) (9CI)

化学式: C5H5NO (95.03711200000001)
中文名称: 吡咯-2-甲醛, 2-吡咯甲醛, 1H-吡咯-2-甲醛
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 83.33%

分子结构信息

SMILES: C1=CNC(=C1)C=O
InChI: InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H

描述信息

Pyrrole-2-carboxaldehyde is a pyrrole carrying a formyl substituent at the 2-position. It is a member of pyrroles and a 1,3-thiazole-2-carbaldehyde.
Pyrrole-2-carboxaldehyde is a natural product found in Polygala senega, Theobroma cacao, and other organisms with data available.
1H-Pyrrole-2-carboxaldehyde is found in coffee and coffee products. 1H-Pyrrole-2-carboxaldehyde is a constituent of numerous plant species including tea, coffee and various legumes
Constituent of numerous plant subspecies including tea, coffee and various legumes. 1H-Pyrrole-2-carboxaldehyde is found in tea, coffee and coffee products, and pulses.
Pyrrole-2-carboxaldehyde has vibrational and electronic characteristics used to establish the existence of dimeric form in solid phase and monomeric form in solution phase[1].
Pyrrole-2-carboxaldehyde has vibrational and electronic characteristics used to establish the existence of dimeric form in solid phase and monomeric form in solution phase[1].

同义名列表

43 个代谢物同义名

1H-Pyrrole-2-carboxaldehyde,radical ion(1-) (9CI); InChI=1/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6; Pyrrole-2-carboxaldehyde, 98\\%; Pyrrole-2-carboxaldehyde (8CI); 1( H)-Pyrrole carboxaldehyde; 1H-pyrrole-2-carboxyaldehyde; 1H-Pyrrole-2-carbaldehyde #; 2-carboxaldehyde-1H-pyrrole; 1H-Pyrrole-2-carboxaldehyde; 1(H)-pyrrole carboxaldehyde; 1-Pyrrole-2-carboxaldehyde; 1H-Pyrrole-2-carbaldehyde; pyrrole 2-carboxaldehyde; 2-pyrrole carboxaldehyde; Pyrrole-2-carboxaldehyde; 1H-Pyrrolecarboxaldehyde; 2-Pyrrolylcarboxaldehyde; Pyrrol-2-carboxaldehyde; 2-Pyrrolecarboxaldehyde; pyrrole-2-carbaldehyde; pyrrole-carboxaldehyde; 2-pyrrole carbaldehyde; .alpha.-Pyrrolaldehyde; pyrrole-2-formaldehyde; pyrrole carboxaldehyde; 2-pyrrolcarboxaldehyde; 2-Pyrrolecarbaldehyde; pyrrol-2-carbaldehyde; alpha-Pyrrolaldehyde; 2-Pyrrolcarbaldehyde; 2-Formyl-1H-pyrrole; Pyrrole-2-aldehyde; 2-pyrrole aldehyde; pyrrol-2-aldehyde; a-Pyrrolaldehyde; pyrrole aldehyde; 2-Formyl-pyrrole; Α-pyrrolaldehyde; 2-Pyrrolaldehyde; 2-Formylpyrrole; formyl-pyrrole; AI3-35104; Pyrrole-2-carboxaldehyde



数据库引用编号

15 个数据库交叉引用编号

分类词条

相关代谢途径

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代谢反应

0 个相关的代谢反应过程信息。

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Plant Reactome(0)

INOH(0)

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7 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

  • Bowen Qi, Wanqing Yang, Ning Ding, Yuan Luo, Fangfang Jia, Xiao Liu, Juan Wang, Xiaohui Wang, Pengfei Tu, Shepo Shi. Pyrrole 2-carbaldehyde derived alkaloids from the roots of Angelica dahurica. Journal of natural medicines. 2019 Sep; 73(4):769-776. doi: 10.1007/s11418-019-01328-1. [PMID: 31209724]
  • 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]
  • Manuela Kuchar, Maria Cristina Oliveira, Lurdes Gano, Isabel Santos, Torsten Kniess. Radioiodinated sunitinib as a potential radiotracer for imaging angiogenesis-radiosynthesis and first radiopharmacological evaluation of 5-[125I]Iodo-sunitinib. Bioorganic & medicinal chemistry letters. 2012 Apr; 22(8):2850-5. doi: 10.1016/j.bmcl.2012.02.068. [PMID: 22444679]
  • Ping-Chung Kuo, Yan-Yu Lai, Ying-Jie Chen, Wei-Hung Yang, Jason T C Tzen. Changes in volatile compounds upon aging and drying in oolong tea production. Journal of the science of food and agriculture. 2011 Jan; 91(2):293-301. doi: 10.1002/jsfa.4184. [PMID: 20945506]
  • Matteo Bassetti, Malgorzata Mikulska, Claudio Viscoli. Bench-to-bedside review: therapeutic management of invasive candidiasis in the intensive care unit. Critical care (London, England). 2010; 14(6):244. doi: 10.1186/cc9239. [PMID: 21144007]
  • Keisuke Kagami, Kenji Onda, Kitaro Oka, Toshihiko Hirano. Suppression of blood lipid concentrations by volatile Maillard reaction products. Nutrition (Burbank, Los Angeles County, Calif.). 2008 Nov; 24(11-12):1159-66. doi: 10.1016/j.nut.2008.05.010. [PMID: 18586457]
  • Radoslava Trifonova, Joeke Postma, Francel W A Verstappen, Harro J Bouwmeester, Jan J M H Ketelaars, Jan-Dirk van Elsas. Removal of phytotoxic compounds from torrefied grass fibres by plant-beneficial microorganisms. FEMS microbiology ecology. 2008 Oct; 66(1):158-66. doi: 10.1111/j.1574-6941.2008.00508.x. [PMID: 18537835]
  • Ivannah Pottier, Stéphanie Gente, Jean-Paul Vernoux, Micheline Guéguen. Safety assessment of dairy microorganisms: Geotrichum candidum. International journal of food microbiology. 2008 Sep; 126(3):327-32. doi: 10.1016/j.ijfoodmicro.2007.08.021. [PMID: 17869364]
  • Francisco J Hidalgo, Fátima Nogales, Rosario Zamora. Effect of the pyrrole polymerization mechanism on the antioxidative activity of nonenzymatic browning reactions. Journal of agricultural and food chemistry. 2003 Sep; 51(19):5703-8. doi: 10.1021/jf034369u. [PMID: 12952422]
  • F Hayase, R H Nagaraj, S Miyata, F G Njoroge, V M Monnier. Aging of proteins: immunological detection of a glucose-derived pyrrole formed during maillard reaction in vivo. The Journal of biological chemistry. 1989 Mar; 264(7):3758-64. doi: 10.1016/s0021-9258(19)84914-1. [PMID: 2917974]