Tomelukast (BioDeep_00000275631)

   


代谢物信息卡片


Tomelukast

化学式: C16H22N4O3 (318.1691822)
中文名称: 油酸三乙醇胺
谱图信息: 最多检出来源 Viridiplantae(plant) 76.92%

分子结构信息

SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2
InChI: InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)

描述信息

D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4323; ORIGINAL_PRECURSOR_SCAN_NO 4321
CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4808; ORIGINAL_PRECURSOR_SCAN_NO 4806
CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4333; ORIGINAL_PRECURSOR_SCAN_NO 4329
CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4786; ORIGINAL_PRECURSOR_SCAN_NO 4784
CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4915; ORIGINAL_PRECURSOR_SCAN_NO 4913
CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4810; ORIGINAL_PRECURSOR_SCAN_NO 4806
CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9235; ORIGINAL_PRECURSOR_SCAN_NO 9230
CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9194; ORIGINAL_PRECURSOR_SCAN_NO 9192
CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9299; ORIGINAL_PRECURSOR_SCAN_NO 9298
CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9319; ORIGINAL_PRECURSOR_SCAN_NO 9318
CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9248
INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9248
CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9308; ORIGINAL_PRECURSOR_SCAN_NO 9306

同义名列表

2 个代谢物同义名

Tomelukast; LY 171883



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)

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

  • Mark J Henderson, Kathleen A Trychta, Shyh-Ming Yang, Susanne Bäck, Adam Yasgar, Emily S Wires, Carina Danchik, Xiaokang Yan, Hideaki Yano, Lei Shi, Kuo-Jen Wu, Amy Q Wang, Dingyin Tao, Gergely Zahoránszky-Kőhalmi, Xin Hu, Xin Xu, David Maloney, Alexey V Zakharov, Ganesha Rai, Fumihiko Urano, Mikko Airavaara, Oksana Gavrilova, Ajit Jadhav, Yun Wang, Anton Simeonov, Brandon K Harvey. A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. Cell reports. 2021 04; 35(4):109040. doi: 10.1016/j.celrep.2021.109040. [PMID: 33910017]
  • Tobie D Lee, Olivia W Lee, Kyle R Brimacombe, Lu Chen, Rajarshi Guha, Sabrina Lusvarghi, Bethilehem G Tebase, Carleen Klumpp-Thomas, Robert W Robey, Suresh V Ambudkar, Min Shen, Michael M Gottesman, Matthew D Hall. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology. 2019 11; 96(5):629-640. doi: 10.1124/mol.119.115964. [PMID: 31515284]
  • Daniel J Warner, Hongming Chen, Louis-David Cantin, J Gerry Kenna, Simone Stahl, Clare L Walker, Tobias Noeske. Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification. Drug metabolism and disposition: the biological fate of chemicals. 2012 Dec; 40(12):2332-41. doi: 10.1124/dmd.112.047068. [PMID: 22961681]
  • Gary O Rankin, Suk K Hong, Dianne K Anestis, John G Ball, Monica A Valentovic, Vincent A Graffeo. Role of leukotrienes in N-(3,5-dichlorophenyl)succinimide (NDPS) and NDPS metabolite nephrotoxicity in male Fischer 344 rats. Toxicology. 2012 Oct; 300(1-2):92-9. doi: 10.1016/j.tox.2012.06.003. [PMID: 22706168]
  • M M T Downie, D A Sanders, L M Maier, D M Stock, T Kealey. Peroxisome proliferator-activated receptor and farnesoid X receptor ligands differentially regulate sebaceous differentiation in human sebaceous gland organ cultures in vitro. The British journal of dermatology. 2004 Oct; 151(4):766-75. doi: 10.1111/j.1365-2133.2004.06171.x. [PMID: 15491415]
  • Kirsten Scholz-Pedretti, Annette Gans, Karl-Friedrich Beck, Josef Pfeilschifter, Marietta Kaszkin. Potentiation of TNF-alpha-stimulated group IIA phospholipase A(2) expression by peroxisome proliferator-activated receptor alpha activators in rat mesangial cells. Journal of the American Society of Nephrology : JASN. 2002 Mar; 13(3):611-620. doi: 10.1681/asn.v133611. [PMID: 11856764]
  • M J Barbera, A Schluter, N Pedraza, R Iglesias, F Villarroya, M Giralt. Peroxisome proliferator-activated receptor alpha activates transcription of the brown fat uncoupling protein-1 gene. A link between regulation of the thermogenic and lipid oxidation pathways in the brown fat cell. The Journal of biological chemistry. 2001 Jan; 276(2):1486-93. doi: 10.1074/jbc.m006246200. [PMID: 11050084]
  • P Mancuso, M Peters-Golden. Modulation of alveolar macrophage phagocytosis by leukotrienes is Fc receptor-mediated and protein kinase C-dependent. American journal of respiratory cell and molecular biology. 2000 Dec; 23(6):727-33. doi: 10.1165/ajrcmb.23.6.4246. [PMID: 11104724]
  • J M Peters, Y C Zhou, P A Ram, S S Lee, F J Gonzalez, D J Waxman. Peroxisome proliferator-activated receptor alpha required for gene induction by dehydroepiandrosterone-3 beta-sulfate. Molecular pharmacology. 1996 Jul; 50(1):67-74. doi: NULL. [PMID: 8700121]
  • J P Patel, L D Beck, F A Briglia, C E Hock. Beneficial effects of combined thromboxane and leukotriene receptor antagonism in hemorrhagic shock. Critical care medicine. 1995 Feb; 23(2):231-7. doi: 10.1097/00003246-199502000-00006. [PMID: 7867347]
  • T Tanaka, T Kita, R Liu, N Tanaka. Protective effect of peptide leukotriene antagonist on renal failure induced by a tourniquet in rabbits. Forensic science international. 1995 Jan; 71(1):57-64. doi: 10.1016/0379-0738(94)01639-m. [PMID: 7875619]
  • D A Hartupee, J C Passmore, A Jimenez. Effect of leukotrienes of renal water excretion. Prostaglandins, leukotrienes, and essential fatty acids. 1993 Apr; 48(4):297-303. doi: 10.1016/0952-3278(93)90219-m. [PMID: 8388565]
  • J H Musser, A F Kreft. 5-lipoxygenase: properties, pharmacology, and the quinolinyl(bridged)aryl class of inhibitors. Journal of medicinal chemistry. 1992 Jul; 35(14):2501-24. doi: 10.1021/jm00092a001. [PMID: 1635053]
  • C Z Amorim, M G Henriques, V B Weg, R S Cordeiro, B B Vargaftig. Effect of PAF-acether antagonists on active anaphylactic mouse paw edema. Lipids. 1991 Dec; 26(12):1396-9. doi: 10.1007/bf02536574. [PMID: 1668123]
  • V B Weg, M L Watson, R S Cordeiro, T J Williams. Histamine, leukotriene D4 and platelet-activating factor in guinea pig passive cutaneous anaphylaxis. European journal of pharmacology. 1991 Nov; 204(2):157-63. doi: 10.1016/0014-2999(91)90700-z. [PMID: 1687219]
  • P S Foxworthy, P I Eacho. Effect of the peroxisome proliferator LY171883 on triglyceride accumulation in rats fed a fat-free diet. Biochemical pharmacology. 1991 Sep; 42(7):1487-91. doi: 10.1016/0006-2952(91)90463-f. [PMID: 1930273]
  • P S Foxworthy, D N Perry, D M Hoover, P I Eacho. Changes in hepatic lipid metabolism associated with lipid accumulation and its reversal in rats given the peroxisome proliferator LY171883. Toxicology and applied pharmacology. 1990 Dec; 106(3):375-83. doi: 10.1016/0041-008x(90)90334-q. [PMID: 1979695]
  • J A Cook, E J Li, K M Spicer, W C Wise, P V Halushka. Effect of leukotriene receptor antagonists on vascular permeability during endotoxic shock. Circulatory shock. 1990 Nov; 32(3):209-18. doi: NULL. [PMID: 2175680]
  • J S Young, J C Passmore. Hemodynamic and renal advantages of dual cyclooxygenase and leukotriene blockade during canine endotoxic shock. Circulatory shock. 1990 Nov; 32(3):243-55. doi: NULL. [PMID: 2175681]
  • N C Olson, K T Kruse-Elliott, L Johnson. Effect of LY171883 on endotoxin-induced lung injury in pigs. Journal of applied physiology (Bethesda, Md. : 1985). 1990 Oct; 69(4):1315-22. doi: 10.1152/jappl.1990.69.4.1315. [PMID: 1979787]
  • T Shimazawa, H Nagai, A Koda, M Kasahara. The effects of thromboxane A2 inhibitors (OKY-046 and ONO-3708) and leukotriene inhibitors (AA-861 and LY-171883) on CCl4-induced chronic liver injury in mice. Prostaglandins, leukotrienes, and essential fatty acids. 1990 May; 40(1):67-71. doi: 10.1016/0952-3278(90)90119-6. [PMID: 2119043]
  • D M Hoover, A M Bendele, W P Hoffman, P S Foxworthy, P I Eacho. Effects of chronic treatment with the leukotriene D4 antagonist compound LY171883 on Fischer 344 rats and rhesus monkeys. Fundamental and applied toxicology : official journal of the Society of Toxicology. 1990 Jan; 14(1):123-30. doi: 10.1016/0272-0590(90)90238-f. [PMID: 2307311]
  • H Nagai, T Shimazawa, I Yakuo, M Aoki, A Koda, M Kasahara. Role of peptide-leukotrienes in liver injury in mice. Inflammation. 1989 Dec; 13(6):673-80. doi: 10.1007/bf00914311. [PMID: 2575600]
  • L M Bradley, G Feuerstein, R E Goldstein. The role of lipid mediators in hypoxic pulmonary vasoconstriction in newborns. Progress in clinical and biological research. 1989; 301(?):247-52. doi: ". [PMID: 2798449]
  • L M Bradley, R E Goldstein, G Feuerstein, J F Czaja. Circulatory effects of PAF-acether in newborn piglets. The American journal of physiology. 1989 Jan; 256(1 Pt 2):H205-12. doi: 10.1152/ajpheart.1989.256.1.h205. [PMID: 2912183]
  • M M Krausz, J B Dahan, D Gross. Effect of the leukotriene receptor antagonist LY-171883 on endotoxemia in awake sheep. Circulatory shock. 1988 Dec; 26(4):431-41. doi: . [PMID: 2850874]
  • J Heller, V Horácek, S Kamarádová. A possible role for leukotrienes in the regulation of glomerular haemodynamics in the dog. Pflugers Archiv : European journal of physiology. 1988 Jul; 412(1-2):155-63. doi: 10.1007/bf00583745. [PMID: 2845354]
  • P H Scheuber, C Denzlinger, D Wilker, G Beck, D Keppler, D K Hammer. Cysteinyl leukotrienes as mediators of staphylococcal enterotoxin B in the monkey. European journal of clinical investigation. 1987 Oct; 17(5):455-9. doi: 10.1111/j.1365-2362.1987.tb01142.x. [PMID: 2826171]
  • R A Hahn, B R MacDonald. Primate myocardial and systemic hemodynamic responses to leukotriene D4: antagonism by LY171883. The Journal of pharmacology and experimental therapeutics. 1987 Jul; 242(1):62-9. doi: . [PMID: 3612538]
  • P H Scheuber, C Denzlinger, D Wilker, G Beck, D Keppler, D K Hammer. Staphylococcal enterotoxin B as a nonimmunological mast cell stimulus in primates: the role of endogenous cysteinyl leukotrienes. International archives of allergy and applied immunology. 1987; 82(3-4):289-91. doi: 10.1159/000234209. [PMID: 3032802]
  • P I Eacho, P S Foxworthy, W D Johnson, D M Hoover, S L White. Hepatic peroxisomal changes induced by a tetrazole-substituted alkoxyacetophenone in rats and comparison with other species. Toxicology and applied pharmacology. 1986 May; 83(3):430-7. doi: 10.1016/0041-008x(86)90225-5. [PMID: 3754661]
  • P I Eacho, P S Foxworthy, W D Johnson, R B van Lier. Characterization of liver enlargement induced by compound LY171883 in rats. Fundamental and applied toxicology : official journal of the Society of Toxicology. 1985 Aug; 5(4):794-803. doi: 10.1016/0272-0590(85)90204-0. [PMID: 3840108]
  • C E Hock, A M Lefer. Protective effects of a new LTD4 antagonist (LY-171883) in traumatic shock. Circulatory shock. 1985; 17(4):263-72. doi: . [PMID: 3841503]
  • H Tachizawa, W Tsukada, T Saito, T Akimoto. Prostaglandin synthetase systems in rat and rabbit renal medulla and inhibition by non-steroidal anti-inflammatory drugs. Japanese journal of pharmacology. 1977 Jun; 27(3):351-9. doi: 10.1254/jjp.27.351. [PMID: 21319]
  • V K Rudzit, V K Bumeĭster, E E Lerkh, Zh A Bol'shevich. [Effect of hypercapnia on tyrosine and tryptophan metabolism]. Biulleten' eksperimental'noi biologii i meditsiny. 1976; 81(4):416-8. doi: NULL. [PMID: 6098]