2-[hydroxy-[2-hydroxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油磷脂
• 英文名称: 2-[hydroxy-[2-hydroxy-3-[(9E,12E)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
• 化学式: C26H51NO7P+
• 分子量: 520.7
• InChiKey: SPJFYYJXNPEZDW-OKLKQMLOSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  35
• 可旋转键数：
  24
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• BIOMARKERS USEFUL FOR DIAGNOSING PROSTATE CANCER, AND METHODS THEREOF
  申请人：Ritchie Shawn

  公开号：US20090127454A1

  公开（公告）日：2009-05-21

  The present invention describes a method for predicting a health-state indicative of the presence of prostate cancer. The method measures the intensities of specific small biochemicals, called metabolites, in a blood sample from a patient with an undetermined health-state, and compares these intensities to the intensities observed in a population of healthy individuals and/or to the intensities previously observed in a population of confirmed prostate cancer-positive individuals. The method enables a practitioner to determine the probability that a screened patient is positive for prostate cancer.
• US8409794B2
  申请人：——

  公开号：US8409794B2

  公开（公告）日：2013-04-02