2,6-Dioxo-3-(5-O-phosphonopentofuranosyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: 2,6-Dioxo-3-(5-O-phosphonopentofuranosyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
• 英文别名: 3-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid
• 化学式: C₁₀H₁₃N₂O₁₁P
• 分子量: 368.19
• InChiKey: KYOBSHFOBAOFBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.2
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  203
• 氢给体数：
  6
• 氢受体数：
  11

文献信息

• ELUCIDATING LIGAND-BINDING INFORMATION BASED ON PROTEIN TEMPLATES
  申请人：Skolnick Jeffrey

  公开号：US20110098238A1

  公开（公告）日：2011-04-28

  A method, computer-readable medium, and system for identifying compounds from chemical libraries that can be used for the therapeutic treatment of a disease or used as lead compounds in a drug development program. In particular, information from homologous proteins is used to predict, for a target protein, molecular functions that can be used to screen libraries of compounds for individual compounds that are predicted to have high binding affinities for the target protein.
• Detection and Quantitation Method for Proteomics of Post-Translational Modifications
  申请人：Sichuan University

  公开号：US20200033361A1

  公开（公告）日：2020-01-30

  The present disclosure relates to the technical field of comparative proteomics, in particular to a detection and quantitation method for proteomics of post-translational modifications. With this method, the protein samples to be studied and internal standards are labeled with isobaric tandem mass tags, and tandem mass spectrometry analysis is carried out for the labeled peptide mixture, wherein the internal standard is a peptide mixture rich in post-translational modifications to be detected. Through this method, the signal of peptides containing the post-translational modifications to be detected can be amplified under the situation that mass spectrometer sensitivity is unchanged, and enrichment of the post-translational modification peptides is not needed. The probability of detecting the peptides containing the post-translational modifications to be detected by mass spectrometer and being selected for subsequent MS/MS analysis is increased.