4-Carbethoxyhexafluorobutyryl chloride (BioDeep_00000173000)

   

human metabolite blood metabolite


代谢物信息卡片


ethyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate

化学式: C7H5ClF6O3 (285.9831)
中文名称: 乙基六氟戊二酰基氯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCOC(=O)C(C(C(C(=O)Cl)(F)F)(F)F)(F)F
InChI: InChI=1S/C7H5ClF6O3/c1-2-17-4(16)6(11,12)7(13,14)5(9,10)3(8)15/h2H2,1H3



数据库引用编号

4 个数据库交叉引用编号

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)

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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。

亚细胞结构定位 关联基因列表


文献列表

  • Kevin L Klette, Matthew H Jamerson, Cynthia L Morris-Kukoski, Aaron R Kettle, J Jacob Snyder. Rapid simultaneous determination of amphetamine, methamphetamine, 3,4-methylenedioxyamphetamine, 3,4-methylenedioxymethamphetamine, and 3,4-methylenedioxyethylamphetamine in urine by fast gas chromatography-mass spectrometry. Journal of analytical toxicology. 2005 Oct; 29(7):669-74. doi: 10.1093/jat/29.7.669. [PMID: 16419398]
  • Buddha D Paul, John Jemionek, David Lesser, Aaron Jacobs, Douglas A Searles. Enantiomeric separation and quantitation of (+/-)-amphetamine, (+/-)-methamphetamine, (+/-)-MDA, (+/-)-MDMA, and (+/-)-MDEA in urine specimens by GC-EI-MS after derivatization with (R)-(-)- or (S)-(+)-alpha-methoxy-alpha-(trifluoromethy)phenylacetyl chloride (MTPA). Journal of analytical toxicology. 2004 Sep; 28(6):449-55. doi: 10.1093/jat/28.6.449. [PMID: 15516295]
  • A Dasgupta, C Jagannath. Gas chromatographic/mass spectrometric identification and quantification of aniline after extraction from serum and derivatization with 4-carbethoxyhexafluorobutyryl chloride, a new derivative. Therapeutic drug monitoring. 1999 Apr; 21(2):238-42. doi: 10.1097/00007691-199904000-00016. [PMID: 10217346]
  • B A Way, D Stickle, M E Mitchell, J W Koenig, J Turk. Isotope dilution gas chromatographic-mass spectrometric measurement of tricyclic antidepressant drugs. Utility of the 4-carbethoxyhexafluorobutyryl derivatives of secondary amines. Journal of analytical toxicology. 1998 Sep; 22(5):374-82. doi: 10.1093/jat/22.5.374. [PMID: 9737332]
  • A Dasgupta, A Hart, P Humphrey, W Blackwell. Gas chromatography-electron ionization and chemical ionization mass spectrometric analysis of urinary phenmetrazine after derivatization with 4-carbethoxyhexafluorobutyryl chloride--a new derivative. Journal of forensic sciences. 1998 May; 43(3):636-40. doi: . [PMID: 9608702]
  • A Dasgupta, G Steinagel. Gas chromatographic-mass spectrometric identification and quantitation of benzyl alcohol from human serum and postmortem blood after derivatization with 4-carbethoxy hexafluorobutyryl chloride: a novel derivative. Journal of forensic sciences. 1997 Jul; 42(4):697-700. doi: . [PMID: 9243835]
  • A Dasgupta, W Blackwell, E Burns. Gas chromatographic-mass spectrometric identification and quantitation of urinary phenols after derivatization with 4-carbethoxyhexafluorobutyryl chloride, a novel derivative. Journal of chromatography. B, Biomedical sciences and applications. 1997 Feb; 689(2):415-21. doi: 10.1016/s0378-4347(96)00325-8. [PMID: 9080331]
  • A Dasgupta, R Macaulay. A novel derivatization of ethylene glycol from human serum using 4-carbethoxyhexafluorobutyryl chloride for unambiguous gas chromatography-chemical ionization mass spectrometric identification and quantification. American journal of clinical pathology. 1995 Sep; 104(3):283-8. doi: 10.1093/ajcp/104.3.283. [PMID: 7677116]
  • E M Thurman, M J Pedersen, R L Stout, T Martin. Distinguishing sympathomimetic amines from amphetamine and methamphetamine in urine by gas chromatography/mass spectrometry. Journal of analytical toxicology. 1992 Jan; 16(1):19-27. doi: 10.1093/jat/16.1.19. [PMID: 1640694]
  • R J Czarny, C L Hornbeck. Quantitation of methamphetamine and amphetamine in urine by capillary GC/MS Part II. Derivatization with 4-carbethoxyhexafluorobutyryl chloride. Journal of analytical toxicology. 1989 Sep; 13(5):257-62. doi: 10.1093/jat/13.5.257. [PMID: 2615335]