(2S)-2-acetamidopropanoic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;10-hydroxydecanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-2-acetamidopropanoic acid;2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;10-hydroxydecanoic acid
• 化学式: C21H41N3O10S2
• 分子量: 559.7
• InChiKey: GAEHQULWHLLJLU-OCXXPKIOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.97
• 重原子数：
  36
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  301
• 氢给体数：
  8
• 氢受体数：
  14

文献信息

• METABOLIC PROFILING IN TISSUE AND SERUM IS INDICATIVE OF TUMOR DIFFERENTIATION IN PROSTATE CANCER
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：EP2917373A1

  公开（公告）日：2015-09-16
• [EN] METABOLIC PROFILING IN TISSUE AND SERUM IS INDICATIVE OF TUMOR DIFFERENTIATION IN PROSTATE CANCER<br/>[FR] PROFILAGE MÉTABOLIQUE DANS UN TISSU ET UN SÉRUM INDICATEUR DE LA DIFFÉRENTIATION DE TUMEUR DANS LE CANCER DE LA PROSTATE
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2014074821A1

  公开（公告）日：2014-05-15

  The invention provides methods and products to detect the presence of unidentified high grade prostate tumors in a subject with a Gleason score 7 prostate tumor. The method comprises obtaining a biological sample from a subject in need thereof, measuring a profile of metabolites in the biological sample, wherein the metabolites are differentially expressed in Gleason score 6 versus Gleason score 8 prostate tumors, and classifying the profile of the metabolites to assign a grade to the sample based on the profile of the metabolites.