Tridecane (BioDeep_00000004348)

 

Secondary id: BioDeep_00000859800

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H

化学式: C13H28 (184.2190888)
中文名称: 正十三烷
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 2.6%

分子结构信息

SMILES: CCCCCCCCCCCCC
InChI: InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3

描述信息

Tridecane appears as an oily straw yellow clear liquid with a hydrocarbon odor. Flash point 190-196 °F. Specific gravity 0.76. Boiling point 456 °F. Repeated or prolonged skin contact may irritate or redden skin, progressing to dermatitis. Exposure to high concentrations of vapor may result in headache and stupor.
Tridecane is a straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus. It has a role as a plant metabolite and a volatile oil component.
Tridecane is a natural product found in Dryopteris assimilis, Thyanta perditor, and other organisms with data available.
Tridecane is an alkane hydrocarbon with the chemical formula CH3(CH2)11CH3. Tridecane is found in allspice and it is also isolated from lime oil. It is a light, combustible colourless liquid that is used in the manufacture of paraffin products, the paper processing industry, in jet fuel research and in the rubber industry; furthermore, tridecane is used as a solvent and distillation chaser. n-tridecane is also one of the major chemicals secreted by some insects as a defense against predators. Tridecane has 802 constitutional isomers
A straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus.
Isolated from lime oil
Tridecane is a short chain aliphatic hydrocarbon containing 13 carbon atoms. Tridecane is an volatile oil component isolated from essential oil of Piper aduncum L. Tridecane is a stress compound released by the brown marmorated stink bugs stress compound[1][2].
Tridecane is a short chain aliphatic hydrocarbon containing 13 carbon atoms. Tridecane is an volatile oil component isolated from essential oil of Piper aduncum L. Tridecane is a stress compound released by the brown marmorated stink bugs stress compound[1][2].

同义名列表

22 个代谢物同义名

InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; (2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate; Tridecane-multiple sizes available; Tridecane, analytical standard; Tridecane_GurudeebanSatyavani; N-TRIDECANE [HSDB]; Dodecane, methyl-; Tridecane, 99.0\\%; Tridecane, >=99\\%; TRIDECANE [INCI]; UNII-A3LZF0L939; CH3-[CH2]11-CH3; Alkanes, C12-14; Lipid fragment; TRIDECANE, N-; Tox21_303043; n-tridecane; A3LZF0L939; Tridecane; Tridekan; tridecan; TRD



数据库引用编号

22 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)

116 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

  • Li Zhu, Dong-Rong Zhu, Wu-Xi Zhou, Jiang-Min Zhu, Li-Jie Gong, Yin Li, Ling-Yi Kong, Jian-Guang Luo. Fortuneicyclidins A and B, Pyrrolizidine Alkaloids with a 7-Azatetracyclo[5.4.3.0.02,8]tridecane Core, from Cephalotaxus fortunei. Organic letters. 2021 04; 23(7):2807-2810. doi: 10.1021/acs.orglett.1c00738. [PMID: 33755492]
  • Lishuo Chen, Rui Ni, Tengjie Yuan, Qinyan Yue, Baoyu Gao. Removal of tridecane dicarboxylic acid in water by nanoscale Fe0/Cu0 bimetallic composites. Ecotoxicology and environmental safety. 2018 Nov; 164(?):219-225. doi: 10.1016/j.ecoenv.2018.08.023. [PMID: 30118955]
  • Yoshinori Asakawa, Kenichi Tomiyama, Kazutoshi Sakurai, Yukihiro Kawakami, Yoshihiro Yaguchi. Volatile Compounds from the Different Organs of Houttuynia cordata and Litsea cubeba (L. citriodora). Journal of oleo science. 2017 Aug; 66(8):889-895. doi: 10.5650/jos.ess17049. [PMID: 28701654]
  • Christina Harris, Sitra Abubeker, Mengmeng Yu, Tracy Leskey, Aijun Zhang. Semiochemical Production and Laboratory Behavior Response of the Brown Marmorated Stink Bug, Halyomorpha Halys. PloS one. 2015; 10(11):e0140876. doi: 10.1371/journal.pone.0140876. [PMID: 26528717]
  • Bo Li, De-Yun Kong, Yun-Heng Shen, Ka-Li Fu, Rong-Cai Yue, Zhu-Zhen Han, Hu Yuan, Qing-Xin Liu, Lei Shan, Hui-Liang Li, Xian-Wen Yang, Wei-Dong Zhang. Pseudolarenone, an unusual nortriterpenoid lactone with a fused 5/11/5/6/5 ring system featuring an unprecedented bicyclo[8.2.1]tridecane core from Pseudolarix amabilis. Chemical communications (Cambridge, England). 2013 Feb; 49(12):1187-9. doi: 10.1039/c2cc37742j. [PMID: 23282897]
  • Yumiko Yamano, Kazuhito Tsuboi, Yuki Hozaki, Kiyohiro Takahashi, Xing-Hua Jin, Natsuo Ueda, Akimori Wada. Lipophilic amines as potent inhibitors of N-acylethanolamine-hydrolyzing acid amidase. Bioorganic & medicinal chemistry. 2012 Jun; 20(11):3658-65. doi: 10.1016/j.bmc.2012.03.065. [PMID: 22542283]
  • Joakim P M Jämbeck, Alexander P Lyubartsev. Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipids. The journal of physical chemistry. B. 2012 Mar; 116(10):3164-79. doi: 10.1021/jp212503e. [PMID: 22352995]
  • Sol A Green, Xiuyin Chen, Niels J Nieuwenhuizen, Adam J Matich, Mindy Y Wang, Barry J Bunn, Yar-Khing Yauk, Ross G Atkinson. Identification, functional characterization, and regulation of the enzyme responsible for floral (E)-nerolidol biosynthesis in kiwifruit (Actinidia chinensis). Journal of experimental botany. 2012 Mar; 63(5):1951-67. doi: 10.1093/jxb/err393. [PMID: 22162874]
  • Jiao Yin, Honglin Feng, Hongyan Sun, Jinghui Xi, Yazhong Cao, Kebin Li. Functional analysis of general odorant binding protein 2 from the meadow moth, Loxostege sticticalis L. (Lepidoptera: Pyralidae). PloS one. 2012; 7(3):e33589. doi: 10.1371/journal.pone.0033589. [PMID: 22479417]
  • Aftab Ahamed, Birgitte K Ahring. Production of hydrocarbon compounds by endophytic fungi Gliocladium species grown on cellulose. Bioresource technology. 2011 Oct; 102(20):9718-22. doi: 10.1016/j.biortech.2011.07.073. [PMID: 21852119]
  • Theresa Tiefenbrunn, Wei Liu, Ying Chen, Vsevolod Katritch, C David Stout, James A Fee, Vadim Cherezov. High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment. PloS one. 2011; 6(7):e22348. doi: 10.1371/journal.pone.0022348. [PMID: 21814577]
  • Raphael T Tremblay, Sheppard A Martin, Jeffrey W Fisher. Metabolites from inhalation of aerosolized S-8 synthetic jet fuel in rats. Inhalation toxicology. 2011 Jan; 23(1):11-6. doi: 10.3109/08958378.2010.535573. [PMID: 21222558]
  • Gan Hui Siang, Ahmad Makahleh, Bahruddin Saad, Boey Peng Lim. Hollow fiber liquid-phase microextraction coupled with gas chromatography-flame ionization detection for the profiling of fatty acids in vegetable oils. Journal of chromatography. A. 2010 Dec; 1217(52):8073-8. doi: 10.1016/j.chroma.2010.10.052. [PMID: 21081239]
  • Z B Xiao, J C Zhu, T Feng, H X Tian, H Y Yu, Y W Niu, X M Zhang. Comparison of volatile components in Chinese traditional pickled peppers using HS-SPME-GC-MS, GC-O and multivariate analysis. Natural product research. 2010 Dec; 24(20):1939-53. doi: 10.1080/14786419.2010.506875. [PMID: 21108121]
  • Jonas M Bengtsson, Yitbarek Wolde-Hawariat, Hamida Khbaish, Merid Negash, Bekele Jembere, Emiru Seyoum, Bill S Hansson, Mattias C Larsson, Ylva Hillbur. Field attractants for Pachnoda interrupta selected by means of GC-EAD and single sensillum screening. Journal of chemical ecology. 2009 Sep; 35(9):1063-76. doi: 10.1007/s10886-009-9684-7. [PMID: 19768509]
  • Mohamed L Ashour, Mahmoud El-Readi, Mahmoud Youns, Sri Mulyaningsih, Frank Sporer, Thomas Efferth, Michael Wink. Chemical composition and biological activity of the essential oil obtained from Bupleurum marginatum (Apiaceae). The Journal of pharmacy and pharmacology. 2009 Aug; 61(8):1079-87. doi: 10.1211/jpp/61.08.0012. [PMID: 19703352]
  • Zhuo-Min Zhang, Wen-Wei Wu, Gong-Ke Li. Study of the alarming volatile characteristics of Tessaratoma papillosa using SPME-GC-MS. Journal of chromatographic science. 2009 Apr; 47(4):291-6. doi: 10.1093/chromsci/47.4.291. [PMID: 19406015]
  • Andrea Gianotti, Diana Serrazanetti, Sylvain Sado Kamdem, Maria Elisabetta Guerzoni. Involvement of cell fatty acid composition and lipid metabolism in adhesion mechanism of Listeria monocytogenes. International journal of food microbiology. 2008 Mar; 123(1-2):9-17. doi: 10.1016/j.ijfoodmicro.2007.11.039. [PMID: 18160165]
  • Luiz Cláudio de Almeida Barbosa, Elson Santiago de Alvarenga, Antônio Jacinto Demuner, Luciano Sindra Virtuoso, Antônio Alberto Silva. Synthesis of new phytogrowth-inhibitory substituted aryl-p-benzoquinones. Chemistry & biodiversity. 2006 May; 3(5):553-67. doi: 10.1002/cbdv.200690059. [PMID: 17193291]
  • Michael L Magwa, Mazuru Gundidza, Nyasha Gweru, Godfred Humphrey. Chemical composition and biological activities of essential oil from the leaves of Sesuvium portulacastrum. Journal of ethnopharmacology. 2006 Jan; 103(1):85-9. doi: 10.1016/j.jep.2005.07.024. [PMID: 16243465]
  • F Muhammad, N A Monteiro-Riviere, R E Baynes, J E Riviere. Effect of in vivo jet fuel exposure on subsequent in vitro dermal absorption of individual aromatic and aliphatic hydrocarbon fuel constituents. Journal of toxicology and environmental health. Part A. 2005 May; 68(9):719-37. doi: 10.1080/15287390590925456. [PMID: 16020199]
  • Elena S Chernetsova, Alexander I Revelsky, Dupont Durst, Tim G Sobolevsky, Igor A Revelsky. Increasing the accuracy of determination of nc/nH ratios by gas chromatography-atomic emission detection. Journal of chromatography. A. 2005 Apr; 1071(1-2):55-8. doi: 10.1016/j.chroma.2004.09.021. [PMID: 15865173]
  • Jeffery B Klauda, Bernard R Brooks, Alexander D MacKerell, Richard M Venable, Richard W Pastor. An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayer. The journal of physical chemistry. B. 2005 Mar; 109(11):5300-11. doi: 10.1021/jp0468096. [PMID: 16863197]
  • A Q Smith, J L Campbell, D A Keys, J W Fisher. Rat tissue and blood partition coefficients for n-alkanes (C8 to C12). International journal of toxicology. 2005 Jan; 24(1):35-41. doi: 10.1080/10915810590918698. [PMID: 15981738]
  • F Muhammad, N A Monteiro-Riviere, J E Riviere. Comparative in vivo toxicity of topical JP-8 jet fuel and its individual hydrocarbon components: identification of tridecane and tetradecane as key constituents responsible for dermal irritation. Toxicologic pathology. 2005; 33(2):258-66. doi: 10.1080/01926230590908222. [PMID: 15902969]
  • Shu-Chen Liu, Lan-Yi Xie, Chun Li, Zhu-An Cao. [Measurement of intracellular pH in long-chain dicarboxylic acid-producing yeast Candida tropicalis and its growth activity]. Sheng wu gong cheng xue bao = Chinese journal of biotechnology. 2004 Mar; 20(2):279-83. doi: NULL. [PMID: 15969122]
  • Anil Kumar Mishra, Puja Panwar, Makoto Hosono, Krishna Chuttani, Pushpa Mishra, Rakesh Kumar Sharma, Jean-Francois Chatal. A new bifunctional chelating agent conjugated with monoclonal antibody and labelled with technetium-99m for targeted scintigraphy: 6-(4-isothiocyanatobenzyl)-5,7-dioxo-1,11-(carboxymethyl)-1,4,8,11-tetraazacyclotridecane. Journal of drug targeting. 2004; 12(9-10):559-67. doi: 10.1080/10611860400010671. [PMID: 15621681]
  • A Babu, A Hern, S Dorn. Sources of semiochemicals mediating host finding in Callosobruchus chinensis (Coleoptera: Bruchidae). Bulletin of entomological research. 2003 Jun; 93(3):187-92. doi: 10.1079/ber2003231. [PMID: 12762860]
  • Somnath Singh, Jagdish Singh. Percutaneous absorption, biophysical, and macroscopic barrier properties of porcine skin exposed to major components of JP-8 jet fuel. Environmental toxicology and pharmacology. 2003 Jun; 14(1-2):77-85. doi: 10.1016/s1382-6689(03)00028-0. [PMID: 21782665]
  • . Safety assessment of Salicylic Acid, Butyloctyl Salicylate, Calcium Salicylate, C12-15 Alkyl Salicylate, Capryloyl Salicylic Acid, Hexyldodecyl Salicylate, Isocetyl Salicylate, Isodecyl Salicylate, Magnesium Salicylate, MEA-Salicylate, Ethylhexyl Salicylate, Potassium Salicylate, Methyl Salicylate, Myristyl Salicylate, Sodium Salicylate, TEA-Salicylate, and Tridecyl Salicylate. International journal of toxicology. 2003; 22 Suppl 3(?):1-108. doi: . [PMID: 14617432]
  • José C del Río, Ana Gutiérrez, María J Martínez, Angel T Martínez AT. Identification of a novel series of alkylitaconic acids in wood cultures of Ceriporiopsis subvermispora by gas chromatography/mass spectrometry. Rapid communications in mass spectrometry : RCM. 2002; 16(1):62-8. doi: 10.1002/rcm.547. [PMID: 11754248]
  • C Y Choo, K L Chan, T W Sam, Y Hitotsuyanagi, K Takeya. The cytotoxicity and chemical constituents of the hexane fraction of Typhonium flagelliforme (Araceace). Journal of ethnopharmacology. 2001 Sep; 77(1):129-31. doi: 10.1016/s0378-8741(01)00274-4. [PMID: 11483390]
  • L Williams, P E Evans, W S Bowers. Defensive chemistry of an aposematic bug, Pachycoris stallii Uhler and volatile compounds of its host plant Croton californicus Muell.-Arg. Journal of chemical ecology. 2001 Feb; 27(2):203-16. doi: 10.1023/a:1005692502595. [PMID: 14768810]