3-Methylheptane (BioDeep_00000023119)

   

human metabolite Endogenous Volatile Flavor Compounds natural product


代谢物信息卡片


3-Methyl-(S)-heptane

化学式: C8H18 (114.1408428)
中文名称: 3-甲基庚烷
谱图信息: 最多检出来源 Homo sapiens(feces) 50%

分子结构信息

SMILES: CCCCC(C)CC
InChI: InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3

描述信息

3-Methylheptane belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. 3-Methylheptane is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 3-methylheptane is considered to be a hydrocarbon lipid molecule. 3-Methylheptane has been detected, but not quantified, in a few different foods, such as herbs and spices, pulses, and tea. This could make 3-methylheptane a potential biomarker for the consumption of these foods.

同义名列表

5 个代谢物同义名

3-Methyl-(S)-heptane; 3-methyl-heptane; 3-METHYLHEPTANE; 2-Ethylhexane; 3-Methylheptane



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)

23 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

  • Susan L Klosterhaus, Heather M Stapleton, Mark J La Guardia, Denise J Greig. Brominated and chlorinated flame retardants in San Francisco Bay sediments and wildlife. Environment international. 2012 Oct; 47(?):56-65. doi: 10.1016/j.envint.2012.06.005. [PMID: 22766500]
  • Mark J La Guardia, Robert C Hale, Ellen Harvey, T Matteson Mainor, Serena Ciparis. In situ accumulation of HBCD, PBDEs, and several alternative flame-retardants in the bivalve (Corbicula fluminea) and gastropod (Elimia proxima). Environmental science & technology. 2012 Jun; 46(11):5798-805. doi: 10.1021/es3004238. [PMID: 22571713]
  • M Krause, A Klit, M Blomberg Jensen, T Søeborg, H Frederiksen, M Schlumpf, W Lichtensteiger, N E Skakkebaek, K T Drzewiecki. Sunscreens: are they beneficial for health? An overview of endocrine disrupting properties of UV-filters. International journal of andrology. 2012 Jun; 35(3):424-36. doi: 10.1111/j.1365-2605.2012.01280.x. [PMID: 22612478]
  • Susan L Teitelbaum, Nancy Mervish, Erin L Moshier, Nita Vangeepuram, Maida P Galvez, Antonia M Calafat, Manori J Silva, Barbara L Brenner, Mary S Wolff. Associations between phthalate metabolite urinary concentrations and body size measures in New York City children. Environmental research. 2012 Jan; 112(?):186-93. doi: 10.1016/j.envres.2011.12.006. [PMID: 22222007]
  • Md Jelas Haron, Hossein Jahangirian, Sidik Silong, Nor Azah Yusof, Anuar Kassim, Roshanak Rafiee-Moghaddam, Behnam Mahdavi, Mazyar Peyda, Yadollah Abdollahi, Jamileh Amin. Benzyl and methyl fatty hydroxamic acids based on palm kernel oil as chelating agent for liquid-liquid iron(III) extraction. International journal of molecular sciences. 2012; 13(2):2148-2159. doi: 10.3390/ijms13022148. [PMID: 22408444]
  • Purabi Roy, Sarika Amdekar, Avnish Kumar, Vinod Singh. Preliminary study of the antioxidant properties of flowers and roots of Pyrostegia venusta (Ker Gawl) Miers. BMC complementary and alternative medicine. 2011 Aug; 11(?):69. doi: 10.1186/1472-6882-11-69. [PMID: 21861910]
  • Zacarías León-González, Carlos Ferreiro-Vera, Feliciano Priego-Capote, María Dolores Luque de Castro. Targeting metabolomics analysis of the sunscreen agent 2-ethylhexyl 4-(N,N-dimethylamino)benzoate in human urine by automated on-line solid-phase extraction-liquid chromatography-tandem mass spectrometry with liquid chromatography-time-of-flight/mass spectrometry confirmation. Journal of chromatography. A. 2011 May; 1218(20):3013-21. doi: 10.1016/j.chroma.2011.03.045. [PMID: 21481400]
  • Xueting Bai, Yicun Chen, Weizhou Chen, Huaping Lei, Ganggang Shi. Volatile constituents, inorganic elements and primary screening of bioactivity of black coral cigarette holders. Marine drugs. 2011; 9(5):863-78. doi: 10.3390/md9050863. [PMID: 21673895]
  • Karl Fent, Armin Zenker, Maja Rapp. Widespread occurrence of estrogenic UV-filters in aquatic ecosystems in Switzerland. Environmental pollution (Barking, Essex : 1987). 2010 May; 158(5):1817-24. doi: 10.1016/j.envpol.2009.11.005. [PMID: 20004505]
  • J G March, C Genestar, B M Simonet. Determination of 2-ethylhexyl 4-(dimethylamino) benzoate using membrane-assisted liquid-liquid extraction and gas chromatography-mass spectrometric detection. Analytical and bioanalytical chemistry. 2009 Jun; 394(3):883-91. doi: 10.1007/s00216-009-2770-4. [PMID: 19347661]
  • Elizabeth E Hatch, Jessica W Nelson, M Mustafa Qureshi, Janice Weinberg, Lynn L Moore, Martha Singer, Thomas F Webster. Association of urinary phthalate metabolite concentrations with body mass index and waist circumference: a cross-sectional study of NHANES data, 1999-2002. Environmental health : a global access science source. 2008 Jun; 7(?):27. doi: 10.1186/1476-069x-7-27. [PMID: 18522739]
  • Itrat Fatima, Ijaz Ahmad, Itrat Anis, Abdul Malik, Nighat Afza. Isatinones A and B, new antifungal oxindole alkaloids from Isatis costata. Molecules (Basel, Switzerland). 2007 Feb; 12(2):155-62. doi: 10.3390/12020155. [PMID: 17846565]
  • Antonia M Calafat, Richard H McKee. Integrating biomonitoring exposure data into the risk assessment process: phthalates [diethyl phthalate and di(2-ethylhexyl) phthalate] as a case study. Environmental health perspectives. 2006 Nov; 114(11):1783-9. doi: 10.1289/ehp.9059. [PMID: 17107868]
  • Elisabetta Damiani, Luca Rosati, Riccardo Castagna, Patricia Carloni, Lucedio Greci. Changes in ultraviolet absorbance and hence in protective efficacy against lipid peroxidation of organic sunscreens after UVA irradiation. Journal of photochemistry and photobiology. B, Biology. 2006 Mar; 82(3):204-13. doi: 10.1016/j.jphotobiol.2005.03.011. [PMID: 16442301]
  • Yamini Chandrasekaran, John H Richburg. The p53 protein influences the sensitivity of testicular germ cells to mono-(2-ethylhexyl) phthalate-induced apoptosis by increasing the membrane levels of Fas and DR5 and decreasing the intracellular amount of c-FLIP. Biology of reproduction. 2005 Jan; 72(1):206-13. doi: 10.1095/biolreprod.104.030858. [PMID: 15371270]
  • Susan M Duty, Antonia M Calafat, Manori J Silva, John W Brock, Louise Ryan, Zuying Chen, James Overstreet, Russ Hauser. The relationship between environmental exposure to phthalates and computer-aided sperm analysis motion parameters. Journal of andrology. 2004 Mar; 25(2):293-302. doi: 10.1002/j.1939-4640.2004.tb02790.x. [PMID: 14760016]
  • Marco Taddia, Maria Grazia Cerroni, Elio Morelli, Andrea Musiani. Determination of boron in silicon-doped gallium arsenide by electrothermal atomic absorption spectrometry and ultraviolet-visible spectrophotometry. Annali di chimica. 2002 Nov; 92(11-12):1045-56. doi: . [PMID: 12556028]
  • W A Anderson, L Castle, M J Scotter, R C Massey, C Springall. A biomarker approach to measuring human dietary exposure to certain phthalate diesters. Food additives and contaminants. 2001 Dec; 18(12):1068-74. doi: 10.1080/02652030110050113. [PMID: 11761117]