2,2,2-Trichloroethanol (BioDeep_00000006511)
Secondary id: BioDeep_00000870673
human metabolite PANOMIX_OTCML-2023 Endogenous
代谢物信息卡片
2,2,2-Trichloroethanol (acd/name 4.0)
化学式: C2H3Cl3O (147.9249478)
中文名称: 2,2,2-三氯乙醇
谱图信息:
最多检出来源 Viridiplantae(plant) 0.04%
分子结构信息
SMILES: C(C(Cl)(Cl)Cl)O
InChI: InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
描述信息
2,2,2-trichloroethanol belongs to the family of Primary Alcohols. These are compounds comprising the primary alcohol functional group, with the general strucuture RCOH (R=alkyl, aryl).
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
2,2,2-Trichloroethanol, the active form of Chloral hydrate, is an agonist for the nonclassical K2P channels TREK-1 (KCNK2) and TRAAK (KCNK4)[1].
2,2,2-Trichloroethanol, the active form of Chloral hydrate, is an agonist for the nonclassical K2P channels TREK-1 (KCNK2) and TRAAK (KCNK4)[1].
同义名列表
15 个代谢物同义名
2,2,2-Trichloroethanol (acd/name 4.0); beta,beta,.beta-trichloroethanol; (Hydroxymethyl)trichloromethane; 2,2,2-Trichloroethyl alcohol; 2,2,2-trichloroethan-1-ol; 2,2,2-Trichloro-1-ethanol; 2, 2,2-Trichloroethanol; 2,2,2-Trichloro-ethanol; Trichloroethyl alcohol; 2,2,2-TRICHLOROETHANOL; beta-Trichloroethanol; Trichloroethanol; Trichlorethanol; CCL3ch2oh; Ethapon
数据库引用编号
17 个数据库交叉引用编号
- ChEBI: CHEBI:28094
- KEGG: C07490
- KEGGdrug: D70779
- PubChem: 8259
- HMDB: HMDB0041796
- Metlin: METLIN1643
- ChEMBL: CHEMBL1171
- Wikipedia: 2,2,2-Trichloroethanol
- MetaCyc: CPD-9673
- foodb: FDB111662
- chemspider: 7961
- CAS: 115-20-8
- PMhub: MS000019560
- PubChem: 9693
- PDB-CCD: 8FH
- NIKKAJI: J2.895I
- medchemexpress: HY-B1500
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
4 个相关的代谢反应过程信息。
Reactome(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(3)
- trichloroethene degradation:
2,2,2-trichloroacetate + NADPH + O2 ⟶ H+ + NADP+ + chloride + oxalate - trichloroethene degradation:
O2 + trichloroethene ⟶ 2,2,2-trichloroacetate + H+ - trichloroethene degradation:
2,2,2-trichloroacetate + NADPH + O2 ⟶ H+ + NADP+ + chloride + oxalate
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
2 个相关的物种来源信息
- 3039 - Euglena gracilis: 10.3389/FBIOE.2021.662655
- 9606 - Homo sapiens: -
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
- Hirotaka Sato, Yuki Ito, Miho Inoue, Yuki Nakahira, Satoru Hashimoto, Tamie Nakajima, Michihiro Kamijima. Simple method to detect triclofos and its metabolites in plasma of children by combined use of liquid chromatography tandem-mass spectrometry and gas chromatography-mass spectrometry.
Scientific reports.
2019 06; 9(1):9294. doi:
10.1038/s41598-019-45790-z. [PMID: 31243319] - Jie Gao, Caixia Yang, Hui Ding, Yanli Zhang, Jinhua Xue, Yanning Cai. 2,2,2-Trichloroethanol lengthens the circadian period of Bmal1-driven circadian bioluminescence rhythms in U2OS cells.
Biochemical and biophysical research communications.
2015 Jul; 462(3):239-44. doi:
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Journal of toxicology and environmental health. Part A.
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PloS one.
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PLoS pathogens.
2012; 8(5):e1002675. doi:
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PloS one.
2012; 7(5):e37703. doi:
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PLoS pathogens.
2012; 8(5):e1002667. doi:
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Journal of nutrition and metabolism.
2012; 2012(?):395757. doi:
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PloS one.
2012; 7(4):e33849. doi:
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International journal of molecular sciences.
2012; 13(1):994-1005. doi:
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Oxidative medicine and cellular longevity.
2012; 2012(?):282383. doi:
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International journal of molecular sciences.
2012; 13(3):3022-3037. doi:
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International journal of nanomedicine.
2012; 7(?):123-31. doi:
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PloS one.
2012; 7(5):e37898. doi:
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International journal of hepatology.
2012; 2012(?):978136. doi:
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PloS one.
2012; 7(5):e37794. doi:
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Frontiers in plant science.
2012; 3(?):53. doi:
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PloS one.
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PloS one.
2012; 7(2):e31317. doi:
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Experimental diabetes research.
2012; 2012(?):789730. doi:
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Journal of biomedicine & biotechnology.
2012; 2012(?):141395. doi:
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Evidence-based complementary and alternative medicine : eCAM.
2012; 2012(?):781812. doi:
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PloS one.
2012; 7(3):e33815. doi:
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PloS one.
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Evidence-based complementary and alternative medicine : eCAM.
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Plant methods.
2011 Dec; 7(?):48. doi:
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Virology journal.
2011 Dec; 8(?):551. doi:
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Genome biology.
2011 Dec; 12(12):R123. doi:
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BMC biochemistry.
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Retrovirology.
2011 Dec; 8(?):99. doi:
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Biochimica et biophysica acta.
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PLoS pathogens.
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Nutrition research and practice.
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PLoS pathogens.
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Biochimica et biophysica acta.
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Oncotarget.
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Journal of proteomics.
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Molecular neurodegeneration.
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Molecular psychiatry.
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International journal of environmental research and public health.
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Analytical and bioanalytical chemistry.
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Biology of the cell.
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