Tonalid (BioDeep_00000413019)

   


代谢物信息卡片


6-Acetyl-1,1,2,4,4,7-hexamethyltetralin

化学式: C18H26O (258.1983546)
中文名称: 吐纳麝香
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C
InChI: InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3

描述信息

D003358 - Cosmetics
CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10718; ORIGINAL_PRECURSOR_SCAN_NO 10713
CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10768; ORIGINAL_PRECURSOR_SCAN_NO 10767
CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10782; ORIGINAL_PRECURSOR_SCAN_NO 10781
CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10822; ORIGINAL_PRECURSOR_SCAN_NO 10818
CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10833; ORIGINAL_PRECURSOR_SCAN_NO 10831
CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10840; ORIGINAL_PRECURSOR_SCAN_NO 10839

同义名列表

4 个代谢物同义名

Acetyl hexamethyl tetralin; Tonalide; Tonalid; 6-Acetyl-1,1,2,4,4,7-hexamethyltetralin



数据库引用编号

11 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)

0 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

  • Liang Wu, Rong Wang, Yao Yao, Yujun Tong, Huizhen Li, Xiang-Zhou Meng, Xiangjun Gong, Lian-Jun Bao, Jing You, Eddy Y Zeng. Occurrence, Spatial Distribution, and Bioaccumulation of Dissolved Synthetic Musks in Freshwaters across China. Environmental science & technology. 2024 Apr; 58(17):7617-7627. doi: 10.1021/acs.est.4c01051. [PMID: 38632682]
  • Abraham Demelash Chane, Zdeněk Košnář, Tereza Hřebečková, Lucie Wiesnerová, Miroslav Jozífek, Petr Doležal, Lukáš Praus, Pavel Tlustoš. Bioremediation of the synthetic musk compounds Galaxolide and Tonalide by white rot fungal strain-assisted phytoremediation in biosolid-amended soil. Chemosphere. 2023 Jul; 328(?):138605. doi: 10.1016/j.chemosphere.2023.138605. [PMID: 37028715]
  • Stephanie Kim, Eric Reed, Stefano Monti, Jennifer J Schlezinger. A Data-Driven Transcriptional Taxonomy of Adipogenic Chemicals to Identify White and Brite Adipogens. Environmental health perspectives. 2021 07; 129(7):77006. doi: 10.1289/ehp6886. [PMID: 34323617]
  • Hongzhao Xiang, Qiaomei Sun, Wenjing Wang, Sai Li, Xi Xiang, Zhiqiang Li, Xiaoxiang Liao, Hui Li. Study of conformational and functional changes caused by binding of environmental pollutant tonalide to human serum albumin. Chemosphere. 2021 May; 270(?):129431. doi: 10.1016/j.chemosphere.2020.129431. [PMID: 33388505]
  • N Hodkovicova, V Enevova, J Cahova, J Blahova, Z Siroka, L Plhalova, V Doubkova, P Marsalek, A Franc, E Fiorino, C Faggio, F Tichy, M Faldyna, Z Svobodova. Could the musk compound tonalide affect physiological functions and act as an endocrine disruptor in rainbow trout?. Physiological research. 2020 Dec; 69(Suppl 4):S595-S606. doi: 10.33549/physiolres.934608. [PMID: 33656906]
  • Wenwen Li, Shanghong Wang, Ji Li, Xiaonan Wang, Bo Fan, Xiangyun Gao, Zhengtao Liu. Development of aquatic life criteria for tonalide (AHTN) and the ecological risk assessment. Ecotoxicology and environmental safety. 2020 Feb; 189(?):109960. doi: 10.1016/j.ecoenv.2019.109960. [PMID: 31784106]
  • Jana Blahova, Lenka Divisova, Lucie Plhalova, Vladimira Enevova, Martin Hostovsky, Veronika Doubkova, Petr Marsalek, Petr Fictum, Zdenka Svobodova. Multibiomarker Responses of Juvenile Stages of Zebrafish (Danio rerio) to Subchronic Exposure to Polycyclic Musk Tonalide. Archives of environmental contamination and toxicology. 2018 May; 74(4):568-576. doi: 10.1007/s00244-017-0484-8. [PMID: 29177677]
  • Claudine Lefebvre, Linda E Kimpe, Chris D Metcalfe, Vance L Trudeau, Jules M Blais. Bioconcentration of polycyclic musks in fathead minnows caged in a wastewater effluent plume. Environmental pollution (Barking, Essex : 1987). 2017 Dec; 231(Pt 2):1593-1600. doi: 10.1016/j.envpol.2017.09.062. [PMID: 28964606]
  • Jitka Tumova, Katerina Grabicova, Oksana Golovko, Olga Koba, Vit Kodes, Ganna Fedorova, Roman Grabic, Hana Kocour Kroupova. Comparison of passive sampling and biota for monitoring of tonalide in aquatic environment. Environmental science and pollution research international. 2017 Oct; 24(28):22251-22257. doi: 10.1007/s11356-017-9850-3. [PMID: 28799007]
  • H Ribeiro, S Ramos, V Homem, L Santos. Can coastline plant species be used as biosamplers of emerging contaminants? - UV-filters and synthetic musks as case studies. Chemosphere. 2017 Oct; 184(?):1134-1140. doi: 10.1016/j.chemosphere.2017.06.084. [PMID: 28672694]
  • Jie Yin, Hao Wang, Jingguang Li, Yongning Wu, Bing Shao. Occurrence of synthetic musks in human breast milk samples from 12 provinces in China. Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment. 2016 Jul; 33(7):1219-27. doi: 10.1080/19440049.2016.1201219. [PMID: 27310419]
  • Marco Parolini, Stefano Magni, Irene Traversi, Sara Villa, Antonio Finizio, Andrea Binelli. Environmentally relevant concentrations of galaxolide (HHCB) and tonalide (AHTN) induced oxidative and genetic damage in Dreissena polymorpha. Journal of hazardous materials. 2015 Mar; 285(?):1-10. doi: 10.1016/j.jhazmat.2014.11.037. [PMID: 25462865]
  • Claudia Lange, Bertram Kuch, Jörg W Metzger. Occurrence and fate of synthetic musk fragrances in a small German river. Journal of hazardous materials. 2015 Jan; 282(?):34-40. doi: 10.1016/j.jhazmat.2014.06.027. [PMID: 24997742]
  • Feng Chen, Guang-Guo Ying, Yi-Bing Ma, Zhi-Feng Chen, Hua-Jie Lai, Feng-Jiao Peng. Field dissipation and risk assessment of typical personal care products TCC, TCS, AHTN and HHCB in biosolid-amended soils. The Science of the total environment. 2014 Feb; 470-471(?):1078-86. doi: 10.1016/j.scitotenv.2013.10.080. [PMID: 24239829]
  • Anne Marie Api, Gretchen Ritacco, I Glenn Sipes. Disposition and excretion of 14C-AHTN (7-acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphthalene) and 14c-hhcb (1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl-cyclopenta-gamma-2-benzopyran) after intravenous administration to Sprague-Dawley rats and domestic pigs. International journal of toxicology. 2013 Jul; 32(4):288-95. doi: 10.1177/1091581813490202. [PMID: 23685777]
  • Anna Pereira-Fernandes, Heidi Demaegdt, Karine Vandermeiren, Tine L M Hectors, Philippe G Jorens, Ronny Blust, Caroline Vanparys. Evaluation of a screening system for obesogenic compounds: screening of endocrine disrupting compounds and evaluation of the PPAR dependency of the effect. PloS one. 2013; 8(10):e77481. doi: 10.1371/journal.pone.0077481. [PMID: 24155963]
  • Cristina Avila, Carolina Reyes, Josep María Bayona, Joan García. Emerging organic contaminant removal depending on primary treatment and operational strategy in horizontal subsurface flow constructed wetlands: influence of redox. Water research. 2013 Jan; 47(1):315-25. doi: 10.1016/j.watres.2012.10.005. [PMID: 23123085]
  • Javier Santiago-Morales, María José Gómez, Sonia Herrera, Amadeo R Fernández-Alba, Eloy García-Calvo, Roberto Rosal. Oxidative and photochemical processes for the removal of galaxolide and tonalide from wastewater. Water research. 2012 Sep; 46(14):4435-47. doi: 10.1016/j.watres.2012.05.051. [PMID: 22709983]
  • André Macherius, Trine Eggen, Wilhelm Georg Lorenz, Thorsten Reemtsma, Ursula Winkler, Monika Moeder. Uptake of galaxolide, tonalide, and triclosan by carrot, barley, and meadow fescue plants. Journal of agricultural and food chemistry. 2012 Aug; 60(32):7785-91. doi: 10.1021/jf301917q. [PMID: 22813076]
  • Jie Yin, Hao Wang, Jing Zhang, Naiyuan Zhou, Fudie Gao, Yongning Wu, Jie Xiang, Bing Shao. The occurrence of synthetic musks in human breast milk in Sichuan, China. Chemosphere. 2012 May; 87(9):1018-23. doi: 10.1016/j.chemosphere.2011.11.068. [PMID: 22196088]
  • Sarunyoo Songkro, Maleewan Jenboonlap, Munchalee Boonprasertpon, Duangkhae Maneenuan, Khemmarat Bouking, Nattha Kaewnopparat. Effects of glucam P-20, vanillin, and fixolide on mosquito repellency of citronella oil lotions. Journal of medical entomology. 2012 May; 49(3):672-7. doi: 10.1603/me11141. [PMID: 22679876]
  • Darcy A Chase, Adcharee Karnjanapiboonwong, Yu Fang, George P Cobb, Audra N Morse, Todd A Anderson. Occurrence of synthetic musk fragrances in effluent and non-effluent impacted environments. The Science of the total environment. 2012 Feb; 416(?):253-60. doi: 10.1016/j.scitotenv.2011.11.067. [PMID: 22197110]
  • Niklas Janzen, Elke Dopp, Julia Hesse, Jessica Richards, Jochen Türk, Kai Bester. Transformation products and reaction kinetics of fragrances in advanced wastewater treatment with ozone. Chemosphere. 2011 Nov; 85(9):1481-6. doi: 10.1016/j.chemosphere.2011.08.043. [PMID: 21955354]
  • Chun Chen, Qixing Zhou, Shuo Liu, Zongming Xiu. Acute toxicity, biochemical and gene expression responses of the earthworm Eisenia fetida exposed to polycyclic musks. Chemosphere. 2011 May; 83(8):1147-54. doi: 10.1016/j.chemosphere.2011.01.006. [PMID: 21281957]
  • Noelia Ramírez, Rosa Maria Marcé, Francesc Borrull. Development of a stir bar sorptive extraction and thermal desorption-gas chromatography-mass spectrometry method for determining synthetic musks in water samples. Journal of chromatography. A. 2011 Jan; 1218(1):156-61. doi: 10.1016/j.chroma.2010.11.006. [PMID: 21130460]
  • Xiaolan Zhang, Gaofeng Liang, Xiangying Zeng, Jing Zhou, Guoying Sheng, Jiamo Ful. Levels of synthetic musk fragrances in human milk from three cities in the Yangtze River Delta in Eastern China. Journal of environmental sciences (China). 2011; 23(6):983-90. doi: 10.1016/s1001-0742(10)60506-2. [PMID: 22066221]
  • Yan Lv, Tao Yuan, Jiangyong Hu, Wenhua Wang. Seasonal occurrence and behavior of synthetic musks (SMs) during wastewater treatment process in Shanghai, China. The Science of the total environment. 2010 Sep; 408(19):4170-6. doi: 10.1016/j.scitotenv.2010.05.003. [PMID: 20633733]
  • Xiaolan Zhang, Yu Yao, Xiangying Zeng, Guangren Qian, Yawen Guo, Minghong Wu, Guoying Sheng, Jiamo Fu. Synthetic musks in the aquatic environment and personal care products in Shanghai, China. Chemosphere. 2008 Aug; 72(10):1553-1558. doi: 10.1016/j.chemosphere.2008.04.039. [PMID: 18514763]
  • Marta Carballa, Guido Fink, Francisco Omil, Juan M Lema, Thomas Ternes. Determination of the solid-water distribution coefficient (Kd) for pharmaceuticals, estrogens and musk fragrances in digested sludge. Water research. 2008 Jan; 42(1-2):287-95. doi: 10.1016/j.watres.2007.07.012. [PMID: 17675136]
  • K Hájková, J Pulkrabová, J Hajslová, T Randák, V Zlábek. Chub (Leuciscus cephalus) as a bioindicator of contamination of the Vltava River by synthetic musk fragrances. Archives of environmental contamination and toxicology. 2007 Oct; 53(3):390-6. doi: 10.1007/s00244-006-0190-4. [PMID: 17728991]
  • Xiangying Zeng, Guoying Sheng, Hongyan Gui, Duohong Chen, Wenlan Shao, Jiamo Fu. Preliminary study on the occurrence and distribution of polycyclic musks in a wastewater treatment plant in Guandong, China. Chemosphere. 2007 Oct; 69(8):1305-11. doi: 10.1016/j.chemosphere.2007.05.029. [PMID: 17604814]
  • Yuichi Horii, Jessica L Reiner, Bommanna G Loganathan, Kurunthachalam Senthil Kumar, Kenneth Sajwan, Kurunthachalam Kannan. Occurrence and fate of polycyclic musks in wastewater treatment plants in Kentucky and Georgia, USA. Chemosphere. 2007 Aug; 68(11):2011-20. doi: 10.1016/j.chemosphere.2007.04.054. [PMID: 17553543]
  • Jessica L Reiner, Chung M Wong, Kathleen F Arcaro, Kurunthachalam Kannan. Synthetic musk fragrances in human milk from the United States. Environmental science & technology. 2007 Jun; 41(11):3815-20. doi: 10.1021/es063088a. [PMID: 17612154]
  • Haruhiko Nakata, Hiroshi Sasaki, Akira Takemura, Motoi Yoshioka, Shinsuke Tanabe, Kurunthachalam Kannan. Bioaccumulation, temporal trend, and geographical distribution of synthetic musks in the marine environment. Environmental science & technology. 2007 Apr; 41(7):2216-22. doi: 10.1021/es0623818. [PMID: 17438766]
  • Marta Carballa, Francisco Omil, Juan M Lema. Calculation methods to perform mass balances of micropollutants in sewage treatment plants. application to pharmaceutical and personal care products (PPCPs). Environmental science & technology. 2007 Feb; 41(3):884-90. doi: 10.1021/es061581g. [PMID: 17328198]
  • Yi Wan, Qiwei Wei, Jianying Hu, Xiaohui Jin, Zhaobin Zhang, Huajun Zhen, Jianyi Liu. Levels, tissue distribution, and age-related accumulation of synthetic musk fragrances in Chinese sturgeon (Acipenser sinensis): comparison to organochlorines. Environmental science & technology. 2007 Jan; 41(2):424-30. doi: 10.1021/es061771r. [PMID: 17310702]
  • Duohong Chen, Xiangying Zeng, Yanqing Sheng, Xinhui Bi, Hongyan Gui, Guoying Sheng, Jiamo Fu. The concentrations and distribution of polycyclic musks in a typical cosmetic plant. Chemosphere. 2007 Jan; 66(2):252-8. doi: 10.1016/j.chemosphere.2006.05.024. [PMID: 16814843]
  • Jian-Jun Yang, Chris D Metcalfe. Fate of synthetic musks in a domestic wastewater treatment plant and in an agricultural field amended with biosolids. The Science of the total environment. 2006 Jun; 363(1-3):149-65. doi: 10.1016/j.scitotenv.2005.06.022. [PMID: 16081141]
  • Kurunthachalam Kannan, Jessica L Reiner, Se Hun Yun, Emily E Perrotta, Lin Tao, Boris Johnson-Restrepo, Bruce D Rodan. Polycyclic musk compounds in higher trophic level aquatic organisms and humans from the United States. Chemosphere. 2005 Nov; 61(5):693-700. doi: 10.1016/j.chemosphere.2005.03.041. [PMID: 16219504]
  • Xiangying Zeng, Guoying Sheng, Ying Xiong, Jiamo Fu. Determination of polycyclic musks in sewage sludge from Guangdong, China using GC-EI-MS. Chemosphere. 2005 Aug; 60(6):817-23. doi: 10.1016/j.chemosphere.2005.04.026. [PMID: 15936801]
  • Haruhiko Nakata. Occurrence of synthetic musk fragrances in marine mammals and sharks from Japanese coastal waters. Environmental science & technology. 2005 May; 39(10):3430-4. doi: 10.1021/es050199l. [PMID: 15952346]
  • Kai Bester. Polycyclic musks in the Ruhr catchment area--transport, discharges of waste water, and transformations of HHCB, AHTN and HHCB-lactone. Journal of environmental monitoring : JEM. 2005 Jan; 7(1):43-51. doi: 10.1039/b409213a. [PMID: 15614401]
  • Kai Bester. Retention characteristics and balance assessment for two polycyclic musk fragrances (HHCB and AHTN) in a typical German sewage treatment plant. Chemosphere. 2004 Nov; 57(8):863-70. doi: 10.1016/j.chemosphere.2004.08.032. [PMID: 15488577]
  • J D Berset, T Kupper, R Etter, J Tarradellas. Considerations about the enantioselective transformation of polycyclic musks in wastewater, treated wastewater and sewage sludge and analysis of their fate in a sequencing batch reactor plant. Chemosphere. 2004 Nov; 57(8):987-96. doi: 10.1016/j.chemosphere.2004.07.020. [PMID: 15488589]
  • M Clara, B Strenn, M Ausserleitner, N Kreuzinger. Comparison of the behaviour of selected micropollutants in a membrane bioreactor and a conventional wastewater treatment plant. Water science and technology : a journal of the International Association on Water Pollution Research. 2004; 50(5):29-36. doi: 10.2166/wst.2004.0305. [PMID: 15497826]
  • Ignaz J Buerge, Hans-Rudolf Buser, Markus D Müller, Thomas Poiger. Behavior of the polycyclic musks HHCB and AHTN in lakes, two potential anthropogenic markers for domestic wastewater in surface waters. Environmental science & technology. 2003 Dec; 37(24):5636-44. doi: 10.1021/es0300721. [PMID: 14717174]
  • Elsa Artola-Garicano, Iris Borkent, Kay Damen, Tjalling Jager, Wouter H J Vaes. Sorption kinetics and microbial biodegradation activity of hydrophobic chemicals in sewage sludge: model and measurements based on free concentrations. Environmental science & technology. 2003 Jan; 37(1):116-22. doi: 10.1021/es020115y. [PMID: 12542299]
  • R Gatermann, S Biselli, H Hühnerfuss, G G Rimkus, S Franke, M Hecker, R Kallenborn, L Karbe, W A König. Synthetic musks in the environment. Part 2: Enantioselective transformation of the polycyclic musk fragrances HHCB, AHTN, AHDI, and ATII in freshwater fish. Archives of environmental contamination and toxicology. 2002 May; 42(4):447-53. doi: 10.1007/s00244-001-0042-1. [PMID: 11994786]
  • R Gatermann, S Biselli, H Hühnerfuss, G G Rimkus, M Hecker, L Karbe. Synthetic musks in the environment. Part 1: Species-dependent bioaccumulation of polycyclic and nitro musk fragrances in freshwater fish and mussels. Archives of environmental contamination and toxicology. 2002 May; 42(4):437-46. doi: 10.1007/s00244-001-0041-2. [PMID: 11994785]