4-Isothiocyanato-1-butene (BioDeep_00000025078)

   

human metabolite


代谢物信息卡片


Isothiocyanic acid, 3-butenyl ester

化学式: C5H7NS (113.0299)
中文名称: 异硫氰酸3-丁烯-1-基酯, 异硫氰酸3-丁烯酯
谱图信息: 最多检出来源 Homo sapiens(not specific) 3.74%

分子结构信息

SMILES: C=CCCN=C=S
InChI: InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2

描述信息

Chief volatile isothiocyanate of enzymically treated seeds of Brassica napus (rape) and other crucifers. Formed from 3-Butenyl glycosinolate LBB62-U. 4-Isothiocyanato-1-butene is found in many foods, some of which are white cabbage, horseradish, brassicas, and cabbage.
4-Isothiocyanato-1-butene is found in brassicas. Chief volatile isothiocyanate of enzymically treated seeds of Brassica napus (rape) and other crucifers. 4-Isothiocyanato-1-butene is formed from 3-Butenyl glycosinolate LBB62-U.

同义名列表

14 个代谢物同义名

Isothiocyanic acid, 3-butenyl ester; 1-butene, 4-isothiocyanato-; 3-buten-1-yl isothiocyanate; 1-Butene 4-isothiocyanate; 1-Butene-4-isothiocyanate; But-3-enyl isothiocyanate; 4-isothiocyanatobut-1-ene; 4-Isothiocyanato-1-butene; 3-Butenyl isothiocyanate; Butenylisothiocyanate; Crotonyl mustard oil; Crotyl mustard oil; BylITC; 3-Butenyl isothiocyanate



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)

13 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。

亚细胞结构定位 关联基因列表


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]
  • Martin Pareja, Erika Qvarfordt, Ben Webster, Patrick Mayon, John Pickett, Michael Birkett, Robert Glinwood. Herbivory by a Phloem-feeding insect inhibits floral volatile production. PloS one. 2012; 7(2):e31971. doi: 10.1371/journal.pone.0031971. [PMID: 22384116]
  • Rieta Gols, James M Bullock, Marcel Dicke, Tibor Bukovinszky, Jeffrey A Harvey. Smelling the wood from the trees: non-linear parasitoid responses to volatile attractants produced by wild and cultivated cabbage. Journal of chemical ecology. 2011 Aug; 37(8):795-807. doi: 10.1007/s10886-011-9993-5. [PMID: 21748300]
  • Franziska Beran, Inga Mewis, Ramasamy Srinivasan, Jiří Svoboda, Christian Vial, Hervé Mosimann, Wilhelm Boland, Carmen Büttner, Christian Ulrichs, Bill S Hansson, Andreas Reinecke. Male Phyllotreta striolata (F.) produce an aggregation pheromone: identification of male-specific compounds and interaction with host plant volatiles. Journal of chemical ecology. 2011 Jan; 37(1):85-97. doi: 10.1007/s10886-010-9899-7. [PMID: 21181241]
  • Miran Jang, Eunyoung Hong, Gun-Hee Kim. Evaluation of antibacterial activity of 3-butenyl, 4-pentenyl, 2-phenylethyl, and benzyl isothiocyanate in Brassica vegetables. Journal of food science. 2010 Sep; 75(7):M412-6. doi: 10.1111/j.1750-3841.2010.01725.x. [PMID: 21535549]
  • Claudia Voelckel, Mehdi Mirzaei, Michael Reichelt, Zhiwei Luo, Dana Pascovici, Peter B Heenan, Silvia Schmidt, Bart Janssen, Paul A Haynes, Peter J Lockhart. Transcript and protein profiling identify candidate gene sets of potential adaptive significance in New Zealand Pachycladon. BMC evolutionary biology. 2010 May; 10(?):151. doi: 10.1186/1471-2148-10-151. [PMID: 20482888]
  • Nancy Frank, Mathieu Dubois, Till Goldmann, Adrienne Tarres, Elke Schuster, Fabien Robert. Semiquantitative analysis of 3-butenyl isothiocyanate to monitor an off-flavor in mustard seeds and glycosinolates screening for origin identification. Journal of agricultural and food chemistry. 2010 Mar; 58(6):3700-7. doi: 10.1021/jf903513k. [PMID: 20180576]
  • Ralph Kissen, Tom W Pope, Murray Grant, John A Pickett, John T Rossiter, Glen Powell. Modifying the alkylglucosinolate profile in Arabidopsis thaliana alters the tritrophic interaction with the herbivore Brevicoryne brassicae and parasitoid Diaeretiella rapae. Journal of chemical ecology. 2009 Aug; 35(8):958-69. doi: 10.1007/s10886-009-9677-6. [PMID: 19701726]
  • Tom W Pope, Ralph Kissen, Murray Grant, John A Pickett, John T Rossiter, Glen Powell. Comparative innate responses of the aphid parasitoid Diaeretiella rapae to alkenyl glucosinolate derived isothiocyanates, nitriles, and epithionitriles. Journal of chemical ecology. 2008 Oct; 34(10):1302-10. doi: 10.1007/s10886-008-9531-2. [PMID: 18712443]
  • J D Blande, J A Pickett, G M Poppy. A Comparison of Semiochemically Mediated Interactions Involving Specialist and Generalist Brassica-feeding Aphids and the Braconid Parasitoid Diaeretiella rapae. Journal of chemical ecology. 2007 Apr; 33(4):767-79. doi: 10.1007/s10886-007-9264-7. [PMID: 17333371]
  • Juris Meija, Maria Montes-Bayón, Danika L Le Duc, Norman Terry, Joseph A Caruso. Simultaneous monitoring of volatile selenium and sulfur species from se accumulating plants (wild type and genetically modified) by GC/MS and GC/ICPMS using solid-phase microextraction for sample introduction. Analytical chemistry. 2002 Nov; 74(22):5837-44. doi: 10.1021/ac020285t. [PMID: 12463370]