2,2-DIMETHYLBUTYRIC ACID (BioDeep_00000389012)
natural product
代谢物信息卡片
化学式: C6H12O2 (116.0837)
中文名称: 2,2-二甲基丁酸
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CCC(C)(C)C(=O)O
InChI: InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
描述信息
A branched-chain fatty acid and metabolite of the lactone prodrug simvastatin, whose sodium salt is potentially useful for the treatment of thalassaemias and haemoglobinopathies.
C78276 - Agent Affecting Digestive System or Metabolism
同义名列表
数据库引用编号
8 个数据库交叉引用编号
- ChEBI: CHEBI:38649
- PubChem: 11684
- ChEMBL: CHEMBL286013
- CAS: 1219804-04-2
- CAS: 595-37-9
- PMhub: MS000239049
- MetaboLights: MTBLC38649
- LOTUS: LTS0190426
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)
9 个相关的物种来源信息
- 2759 - Eukaryota: LTS0190426
- 3398 - Magnoliopsida: LTS0190426
- 35493 - Streptophyta: LTS0190426
- 58023 - Tracheophyta: LTS0190426
- 33090 - Viridiplantae: LTS0190426
- 3602 - Vitaceae: LTS0190426
- 3603 - Vitis: LTS0190426
- 29760 - Vitis vinifera: 10.3389/FMICB.2017.00457
- 29760 - Vitis vinifera: LTS0190426
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。
亚细胞结构定位 | 关联基因列表 |
---|
文献列表
- Abdullah Kutlar, Marvin E Reid, Adlette Inati, Ali T Taher, Miguel R Abboud, Amal El-Beshlawy, George R Buchanan, Hedy Smith, Kenneth I Ataga, Susan P Perrine, Richard G Ghalie. A dose-escalation phase IIa study of 2,2-dimethylbutyrate (HQK-1001), an oral fetal globin inducer, in sickle cell disease.
American journal of hematology.
2013 Nov; 88(11):E255-60. doi:
10.1002/ajh.23533
. [PMID: 23828223] - Abdullah Kutlar, Kenneth Ataga, Marvin Reid, Elliott P Vichinsky, Lynne Neumayr, Loray Blair-Britt, Richard Labotka, Jonathan Glass, Jeffrey R Keefer, William A Wargin, Ronald Berenson, Susan P Perrine. A phase 1/2 trial of HQK-1001, an oral fetal globin inducer, in sickle cell disease.
American journal of hematology.
2012 Nov; 87(11):1017-21. doi:
10.1002/ajh.23306
. [PMID: 22887019] - Susan P Perrine, William A Wargin, Michael S Boosalis, Wayne J Wallis, Sally Case, Jeffrey R Keefer, Douglas V Faller, William C Welch, Ronald J Berenson. Evaluation of safety and pharmacokinetics of sodium 2,2 dimethylbutyrate, a novel short chain fatty acid derivative, in a phase 1, double-blind, placebo-controlled, single-dose, and repeat-dose studies in healthy volunteers.
Journal of clinical pharmacology.
2011 Aug; 51(8):1186-94. doi:
10.1177/0091270010379810
. [PMID: 21422239] - Pramod S Terse, Jerry D Johnson, Michael A Hawk, Glenn D Ritchie, Michael J Ryan, Daphne Y Vasconcelos, Denise A Contos, Susan P Perrine, James O Peggins, Joseph E Tomaszewski. Short-term toxicity study of ST-20 (NSC-741804) by oral gavage in Sprague-Dawley rats.
Toxicologic pathology.
2011 Jun; 39(4):614-22. doi:
10.1177/0192623311406933
. [PMID: 21558467] - Robert A Parise, Jan H Beumer, Cyrous O Kangani, Julianne L Holleran, Julie L Eiseman, Nicola F Smith, Joseph M Covey, Susan P Perrine, Merrill J Egorin. Liquid chromatography-mass spectrometric assay for quantitation of the short-chain fatty acid, 2,2-dimethylbutyrate (NSC 741804), in rat plasma.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2008 Feb; 862(1-2):168-74. doi:
10.1016/j.jchromb.2007.12.002
. [PMID: 18155649] - Francois-Pierre J Martin, Yulan Wang, Norbert Sprenger, Ivan K S Yap, Torbjörn Lundstedt, Per Lek, Serge Rezzi, Ziad Ramadan, Peter van Bladeren, Laurent B Fay, Sunil Kochhar, John C Lindon, Elaine Holmes, Jeremy K Nicholson. Probiotic modulation of symbiotic gut microbial-host metabolic interactions in a humanized microbiome mouse model.
Molecular systems biology.
2008; 4(?):157. doi:
10.1038/msb4100190
. [PMID: 18197175] - Francois-Pierre J Martin, Yulan Wang, Norbert Sprenger, Ivan K S Yap, Serge Rezzi, Ziad Ramadan, Emma Peré-Trepat, Florence Rochat, Christine Cherbut, Peter van Bladeren, Laurent B Fay, Sunil Kochhar, John C Lindon, Elaine Holmes, Jeremy K Nicholson. Top-down systems biology integration of conditional prebiotic modulated transgenomic interactions in a humanized microbiome mouse model.
Molecular systems biology.
2008; 4(?):205. doi:
10.1038/msb.2008.40
. [PMID: 18628745] - François-Pierre J Martin, Marc-Emmanuel Dumas, Yulan Wang, Cristina Legido-Quigley, Ivan K S Yap, Huiru Tang, Séverine Zirah, Gerard M Murphy, Olivier Cloarec, John C Lindon, Norbert Sprenger, Laurent B Fay, Sunil Kochhar, Peter van Bladeren, Elaine Holmes, Jeremy K Nicholson. A top-down systems biology view of microbiome-mammalian metabolic interactions in a mouse model.
Molecular systems biology.
2007; 3(?):112. doi:
10.1038/msb4100153
. [PMID: 17515922] - Toan D Nguyen, Ug-Sung Kim, Susan P Perrine. Novel short chain fatty acids restore chloride secretion in cystic fibrosis.
Biochemical and biophysical research communications.
2006 Mar; 342(1):245-52. doi:
10.1016/j.bbrc.2006.01.127
. [PMID: 16472777] - Yan-li Tang, Yan-ru Deng, Han-qing Wang. [Chemical components of essential oils from the herb of Ligularia virgaurea].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica.
2003 Jul; 28(7):627-9. doi:
. [PMID: 15139106]
- N Uchiyama, Y Kagami, Y Saito, S Abe, M Ohtawa, S Hata. Metabolic fate of 2,2-dimethylbutyryl moiety of simvastatin in rats: identification of metabolites by gas chromatography/mass spectrometry.
European journal of drug metabolism and pharmacokinetics.
1991 Jul; 16(3):189-96. doi:
10.1007/bf03189958
. [PMID: 1814736] - M Sano. Subcellular localizations of guanylate cyclase and 3',5'-cyclic nucleotide phosphodiesterase in sea urchin sperm.
Biochimica et biophysica acta.
1976 Apr; 428(2):525-31. doi:
10.1016/0304-4165(76)90061-1
. [PMID: 6049]