4-Methoxyglucobrassicin (BioDeep_00000228435)

   

human metabolite PANOMIX_OTCML-2023 Volatile Flavor Compounds natural product


代谢物信息卡片


{[(Z)-[2-(4-methoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino]oxy}sulphonic acid

化学式: C17H22N2O10S2 (478.0715832)
中文名称: 4-甲氧基-3-吲哚甲基硫代葡萄糖苷
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: COC1=C2C(C\C(SC3OC(CO)C(O)C(O)C3O)=N\OS(O)(=O)=O)=CNC2=CC=C1
InChI: InChI=1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/b19-12-

描述信息

4-methoxyglucobrassicin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 4-methoxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-methoxyglucobrassicin can be found in a number of food items such as broccoli, chinese mustard, chinese cabbage, and capers, which makes 4-methoxyglucobrassicin a potential biomarker for the consumption of these food products.

同义名列表

10 个代谢物同义名

{[(Z)-[2-(4-methoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino]oxy}sulphonic acid; {[(Z)-[2-(4-methoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxy}sulfonic acid; [(Z)-[2-(4-methoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid; {[(Z)-[2-(4-methoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino]oxy}sulphonate; {[(Z)-[2-(4-methoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxy}sulfonate; [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate; 4-Methoxyglucobrassicin; Methoxyglucobrassicin; 4-Methoxyglucobrassicin; 4-Methoxy-3-indolylmethyl glucosinolate



数据库引用编号

12 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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63 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

  • Marta Klimek-Szczykutowicz, Michał Dziurka, Ivica Blažević, Azra Đulović, Sebastian Granica, Izabela Korona-Glowniak, Halina Ekiert, Agnieszka Szopa. Phytochemical and Biological Activity Studies on Nasturtium officinale (Watercress) Microshoot Cultures Grown in RITA® Temporary Immersion Systems. Molecules (Basel, Switzerland). 2020 Nov; 25(22):. doi: 10.3390/molecules25225257. [PMID: 33187324]
  • Paula Garcia-Ibañez, Diego A Moreno, Vanessa Nuñez-Gomez, Agatha Agudelo, Micaela Carvajal. Use of elicitation in the cultivation of Bimi® for food and ingredients. Journal of the science of food and agriculture. 2020 Mar; 100(5):2099-2109. doi: 10.1002/jsfa.10233. [PMID: 31875967]
  • Arif Hasan Khan Robin, Go-Eun Yi, Rawnak Laila, Kiwoung Yang, Jong-In Park, Hye Ran Kim, Ill-Sup Nou. Expression Profiling of Glucosinolate Biosynthetic Genes in Brassica oleracea L. var. capitata Inbred Lines Reveals Their Association with Glucosinolate Content. Molecules (Basel, Switzerland). 2016 Jun; 21(6):. doi: 10.3390/molecules21060787. [PMID: 27322230]
  • Britta Harbaum-Piayda, Kalpana Palani, Karin Schwarz. Influence of postharvest UV-B treatment and fermentation on secondary plant compounds in white cabbage leaves. Food chemistry. 2016 Apr; 197(Pt A):47-56. doi: 10.1016/j.foodchem.2015.10.065. [PMID: 26616923]
  • Matthew K D Hall, Jenny J Jobling, Gordon S Rogers. Variations in the most abundant types of glucosinolates found in the leaves of baby leaf rocket under typical commercial conditions. Journal of the science of food and agriculture. 2015 Feb; 95(3):552-9. doi: 10.1002/jsfa.6774. [PMID: 24912775]
  • Rosa Agneta, Anna Rita Rivelli, Emanuela Ventrella, Filomena Lelario, Giulio Sarli, Sabino Aurelio Bufo. Investigation of glucosinolate profile and qualitative aspects in sprouts and roots of horseradish (Armoracia rusticana) using LC-ESI-hybrid linear ion trap with Fourier transform ion cyclotron resonance mass spectrometry and infrared multiphoton dissociation. Journal of agricultural and food chemistry. 2012 Aug; 60(30):7474-82. doi: 10.1021/jf301294h. [PMID: 22779710]
  • M Soledade C Pedras, Qing-An Zheng. Metabolic responses of Thellungiella halophila/salsuginea to biotic and abiotic stresses: metabolite profiles and quantitative analyses. Phytochemistry. 2010 Apr; 71(5-6):581-9. doi: 10.1016/j.phytochem.2009.12.008. [PMID: 20122704]
  • Sabine Montaut, Julie Grandbois, Laura Righetti, Jessica Barillari, Renato Iori, Patrick Rollin. Updated glucosinolate profile of Dithyrea wislizenii. Journal of natural products. 2009 May; 72(5):889-93. doi: 10.1021/np800738w. [PMID: 19334740]
  • Ashu B Tiku, Suresh K Abraham, Raosaheb K Kale. Protective effect of the cruciferous vegetable mustard leaf (Brassica campestris) against in vivo chromosomal damage and oxidative stress induced by gamma-radiation and genotoxic chemicals. Environmental and molecular mutagenesis. 2008 Jun; 49(5):335-42. doi: 10.1002/em.20383. [PMID: 18418865]