ST 18:1;O2 (BioDeep_00000637487)
代谢物信息卡片
3alpha-hydroxy-5alpha-estran-17-one
化学式: C18H28O2 (276.2089188)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C1[C@@]2([H])[C@@]([H])(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CCC2=O)C[C@H](O)C1
InChI: InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12+,13-,14+,15+,16-,18-/m0/s1
数据库引用编号
10 个数据库交叉引用编号
- ChEBI: CHEBI:36412
- PubChem: 9900246
- PubChem: 9548753
- DrugBank: DB01455
- ChEMBL: CHEMBL259126
- ChEMBL: CHEMBL3638321
- LipidMAPS: LMST02010050
- LipidMAPS: LMST02010042
- CAS: 1225-01-0
- RefMet: ST 18:1;O2
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
- Loredana Iannella, Cristiana Colamonici, Davide Curcio, Francesco Botrè, Xavier de la Torre. Detecting the abuse of 19-norsteroids in doping controls: A new gas chromatography coupled to isotope ratio mass spectrometry method for the analysis of 19-norandrosterone and 19-noretiocholanolone.
Drug testing and analysis.
2021 Apr; 13(4):770-784. doi:
10.1002/dta.2985. [PMID: 33242373] - Chao Wen, Tianshuo Zhu, Jingzhu Wang, Xin Liu, Shan Wang, Yinong Zhang. Application of online two-dimensional high-performance liquid chromatography as purification procedure to determine the origin of 19-norandrosterone in urine by gas chromatography-combustion-isotope ratio mass spectrometry.
Drug testing and analysis.
2021 Feb; 13(2):338-347. doi:
10.1002/dta.2921. [PMID: 32853478] - Frank Hülsemann, Gregor Fußhöller, Christine Lehn, Mario Thevis. Excretion of 19-norandrosterone after consumption of boar meat.
Drug testing and analysis.
2020 Nov; 12(11-12):1581-1586. doi:
10.1002/dta.2958. [PMID: 33125835] - Fábio Azamor de Oliveira, Alessandro Casilli, Thomas Piper, Thais Reis da Silva, Cristiane Abrantes da Silva, Raquel Vieira Santana da Silva, Marco Aurelio Dal Sasso, Gutierri Ricardo Dos Santos Gonçalves Salgueiro, Monica Costa Padilha, Henrique Marcelo Gualberto Pereira, Mario Thevis, Francisco Radler de Aquino Neto. Implementation and Performance of the Gas Chromatography/Combustion/Isotope Ratio Mass Spectrometry-Based Method for the Confirmatory Analysis of Endogenous Anabolic Steroids during the Rio de Janeiro Olympic and Paralympic Games 2016.
Analytical chemistry.
2019 09; 91(18):11747-11756. doi:
10.1021/acs.analchem.9b02341. [PMID: 31423767] - Frank Hülsemann, Vassilios Gougoulidis, Thomas Schertel, Gregor Fusshöller, Ulrich Flenker, Thomas Piper, Mario Thevis. Case Study: Atypical δ13 C values of urinary norandrosterone.
Drug testing and analysis.
2018 Nov; 10(11-12):1728-1733. doi:
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The Journal of steroid biochemistry and molecular biology.
2016 09; 162(?):80-91. doi:
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Bioanalysis.
2012 Jan; 4(2):167-75. doi:
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Analytical and bioanalytical chemistry.
2011 Aug; 401(2):483-92. doi:
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2011 May; 1218(21):3306-16. doi:
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Drug testing and analysis.
2009 Nov; 1(11-12):531-7. doi:
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Medicine and science in sports and exercise.
2009 Apr; 41(4):766-72. doi:
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2009 Apr; 59(2):155-8. doi:
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Steroids.
2009 Mar; 74(3):341-9. doi:
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Steroids.
2009 Mar; 74(3):350-8. doi:
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Steroids.
2009 Mar; 74(3):359-64. doi:
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Steroids.
2009 Mar; 74(3):329-34. doi:
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Analytical and bioanalytical chemistry.
2009 Feb; 393(4):1315-25. doi:
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Rapid communications in mass spectrometry : RCM.
2008 Oct; 22(19):3035-42. doi:
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The Journal of steroid biochemistry and molecular biology.
2008 May; 110(1-2):30-8. doi:
10.1016/j.jsbmb.2007.09.024. [PMID: 18356042] - Emmanuel Strahm, Christophe Saudan, Pierre-Edouard Sottas, Patrice Mangin, Martial Saugy. Direct detection and quantification of 19-norandrosterone sulfate in human urine by liquid chromatography-linear ion trap mass spectrometry.
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2007 Jun; 852(1-2):491-6. doi:
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Journal of pharmaceutical and biomedical analysis.
2007 May; 44(1):173-9. doi:
10.1016/j.jpba.2007.02.012. [PMID: 17391892] - Mario Thevis, Hans Geyer, Ute Mareck, Ulrich Flenker, Wilhelm Schänzer. Doping-control analysis of the 5alpha-reductase inhibitor finasteride: determination of its influence on urinary steroid profiles and detection of its major urinary metabolite.
Therapeutic drug monitoring.
2007 Apr; 29(2):236-47. doi:
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Journal of analytical toxicology.
2007 Apr; 31(3):125-31. doi:
10.1093/jat/31.3.125. [PMID: 17579958] - Y L Tseng, C-Y Sun, F-H Kuo. Detection and quantification of glucuro- and sulfoconjugated metabolites in human urine following oral administration of xenobiotic 19-norsteroids.
Steroids.
2006 Sep; 71(9):817-27. doi:
10.1016/j.steroids.2006.05.012. [PMID: 16814335] - Moritz Hebestreit, Ulrich Flenker, Gregor Fusshöller, Hans Geyer, Ute Güntner, Ute Mareck, Thomas Piper, Mario Thevis, Christiane Ayotte, Wilhelm Schänzer. Determination of the origin of urinary norandrosterone traces by gas chromatography combustion isotope ratio mass spectrometry.
The Analyst.
2006 Sep; 131(9):1021-6. doi:
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Biomedical chromatography : BMC.
2006 Aug; 20(8):710-7. doi:
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Analytical chemistry.
2006 May; 78(10):3393-8. doi:
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Scandinavian journal of medicine & science in sports.
2006 Feb; 16(1):41-8. doi:
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2005 Sep; 23(9):883-9. doi:
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Steroids.
2005 Jul; 70(8):499-506. doi:
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2005 May; 15(3):158-66. doi:
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The Journal of clinical endocrinology and metabolism.
2005 May; 90(5):2624-30. doi:
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Clinical chemistry.
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Rapid communications in mass spectrometry : RCM.
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