ortho-hydroxyatorvastatin (BioDeep_00000054423)
human metabolite Endogenous blood metabolite Chemicals and Drugs
代谢物信息卡片
化学式: C33H35FN2O6 (574.2479022)
中文名称:
谱图信息:
最多检出来源 Homo sapiens(feces) 96.36%
分子结构信息
SMILES: CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4O
InChI: InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)
描述信息
ortho-hydroxyatorvastatin is a metabolite of atorvastatin. Atorvastatin, marketed by Pfizer as a calcium salt under the trade name Lipitor, is a member of the drug class known as statins, used for lowering blood cholesterol. It also stabilizes plaque and prevents strokes through anti-inflammatory and other mechanisms. Like all statins, atorvastatin works by inhibiting HMG-CoA reductase, an enzyme found in liver tissue that plays a key role in production of cholesterol in the body. (Wikipedia)
同义名列表
8 个代谢物同义名
7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)-C-hydroxycarbonimidoyl]-3-phenyl-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid; 7-[2-(4-Fluorophenyl)-4-[(2-hydroxyphenyl)-C-hydroxycarbonimidoyl]-3-phenyl-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate; 7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)-C-hydroxycarbonimidoyl]-5-isopropyl-3-phenylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid; 7-[2-(4-Fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid; ortho-hydroxyatorvastatin; Ortho-hydroxyatorvastatin; 2-Hydroxy-atorvastatin; 2-Hydroxyatorvastatin
数据库引用编号
分类词条
相关代谢途径
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代谢反应
0 个相关的代谢反应过程信息。
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BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
1 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
- Asma El-Zailik, Lily K Cheung, Yang Wang, Vadim Sherman, Diana S-L Chow. Simultaneous LC-MS/MS analysis of simvastatin, atorvastatin, rosuvastatin and their active metabolites for plasma samples of obese patients underwent gastric bypass surgery.
Journal of pharmaceutical and biomedical analysis.
2019 Feb; 164(?):258-267. doi:
10.1016/j.jpba.2018.10.045. [PMID: 30396053] - Nikolaos Tsamandouras, Yingying Guo, Thierry Wendling, Stephen Hall, Aleksandra Galetin, Leon Aarons. Modelling of atorvastatin pharmacokinetics and the identification of the effect of a BCRP polymorphism in the Japanese population.
Pharmacogenetics and genomics.
2017 01; 27(1):27-38. doi:
10.1097/fpc.0000000000000252. [PMID: 27787353] - Robert F Jacob, Mary F Walter, Yehudi Self-Medlin, R Preston Mason. Atorvastatin active metabolite inhibits oxidative modification of small dense low-density lipoprotein.
Journal of cardiovascular pharmacology.
2013 Aug; 62(2):160-6. doi:
10.1097/fjc.0b013e318294998d. [PMID: 23575262] - Kwang-Hee Shin, Tae-Eun Kim, Sung Eun Kim, Min Goo Lee, Im-Sook Song, Seo Hyun Yoon, Joo-Youn Cho, In-Jin Jang, Sang-Goo Shin, Kyung-Sang Yu. The effect of the newly developed angiotensin receptor II antagonist fimasartan on the pharmacokinetics of atorvastatin in relation to OATP1B1 in healthy male volunteers.
Journal of cardiovascular pharmacology.
2011 Nov; 58(5):492-9. doi:
10.1097/fjc.0b013e31822b9092. [PMID: 21765368] - S V Buianova, S S Osochuk, G D Korobov. [The composition of blood lipoproteins of donors 2 hours later after single atorvastatin intake].
Klinicheskaia laboratornaia diagnostika.
2011 Aug; ?(8):18-21. doi:
NULL. [PMID: 22164412] - Chinmoy Ghosh, Ina Jain, Shashank Gaur, Niraj Patel, Anita Upadhyay, Bhaswat S Chakraborty. Simultaneous estimation of atorvastatin and its two metabolites from human plasma by ESI-LC-MS/MS.
Drug testing and analysis.
2011 Jun; 3(6):352-62. doi:
10.1002/dta.228. [PMID: 21309001] - Lloyd R Whitfield, Anthony R Porcari, Christine Alvey, Robert Abel, William Bullen, Daniel Hartman. Effect of gemfibrozil and fenofibrate on the pharmacokinetics of atorvastatin.
Journal of clinical pharmacology.
2011 Mar; 51(3):378-88. doi:
10.1177/0091270010366446. [PMID: 20413454] - B X He, L Shi, J Qiu, X H Zeng, L Tao, R Li, C J Hong, X L Gu, F Y Dong, L Yang, S J Zhao. Quantitative determination of atorvastatin and ortho-hydroxy atorvastatin in human plasma by liquid chromatography tandem mass spectrometry and pharmacokinetic evaluation.
Methods and findings in experimental and clinical pharmacology.
2010 Sep; 32(7):481-7. doi:
10.1358/mf.2010.32.7.1487086. [PMID: 21069099] - David Guillén, Frederic Cofán, Emilio Ros, Olga Millán, Montse Cofán, Antoni Rimola, Mercè Brunet. Determination of atorvastatin and its metabolite ortho-hydroxyatorvastatin in human plasma by on-line anion-exchange solid-phase extraction and liquid chromatography tandem mass spectrometry.
Analytical and bioanalytical chemistry.
2009 Jul; 394(6):1687-96. doi:
10.1007/s00216-009-2852-3. [PMID: 19506841] - N Rao, B Dvorchik, N Sussman, H Wang, K Yamamoto, A Mori, T Uchimura, P Chaikin. A study of the pharmacokinetic interaction of istradefylline, a novel therapeutic for Parkinson's disease, and atorvastatin.
Journal of clinical pharmacology.
2008 Sep; 48(9):1092-8. doi:
10.1177/0091270008320924. [PMID: 18552277] - Y Y Lau, Y Huang, L Frassetto, L Z Benet. effect of OATP1B transporter inhibition on the pharmacokinetics of atorvastatin in healthy volunteers.
Clinical pharmacology and therapeutics.
2007 Feb; 81(2):194-204. doi:
10.1038/sj.clpt.6100038. [PMID: 17192770] - V Borek-Dohalský, J Huclová, B Barrett, B Nemec, I Ulc, I Jelínek. Validated HPLC-MS-MS method for simultaneous determination of atorvastatin and 2-hydroxyatorvastatin in human plasma-pharmacokinetic study.
Analytical and bioanalytical chemistry.
2006 Sep; 386(2):275-85. doi:
10.1007/s00216-006-0655-3. [PMID: 16924379] - T Kantola, K T Kivistö, P J Neuvonen. Effect of itraconazole on the pharmacokinetics of atorvastatin.
Clinical pharmacology and therapeutics.
1998 Jul; 64(1):58-65. doi:
10.1016/s0009-9236(98)90023-6. [PMID: 9695720]