2-[4-(10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 2-[4-(10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid
• 化学式: C₂₆H₄₃NO₇S
• 分子量: 513.7
• InChiKey: FHXBAFXQVZOILS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  138
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• Method for the diagnosis of non-alcoholic steatohepatitis based on a metabolomic profile
  申请人：One Way Liver Genomics, S.L.

  公开号：EP2309276A1

  公开（公告）日：2011-04-13

  The invention relates to methods for the diagnosis of non-alcoholic steatosis (NASH). The method relies on the determination of certain metabolic markers in a biological sample of the patient which are up- or down-regulated in the NASH patients vs. patients with a simple fatty liver (steatosis).

  本发明涉及诊断非酒精性脂肪肝（NASH）的方法。该方法依赖于测定患者生物样本中的某些代谢标记物，这些标记物在非酒精性脂肪肝患者与单纯脂肪肝（脂肪变性）患者中上调或下调。
• METHOD FOR THE DIAGNOSIS OF NON-ALCOHOLIC STEATOHEPATITIS BASED ON A METABOLOMIC PROFILE
  申请人：Barr Jonathan

  公开号：US20120187289A1

  公开（公告）日：2012-07-26

  The invention relates to methods for the diagnosis of non-alcoholic steatosis (NASH). The method relies on the determination of certain metabolic markers in a biological sample of the patient which are up- or down-regulated in the NASH patients vs. patients with a simple fatty liver (steatosis).
• US8758992B2
  申请人：——

  公开号：US8758992B2

  公开（公告）日：2014-06-24
• [EN] METHOD FOR THE DIAGNOSIS OF NON-ALCOHOLIC STEATOHEPATITIS BASED ON A METABOLOMIC PROFILE<br/>[FR] MÉTHODE DIAGNOSTIQUE DE LA STÉATOSE HÉPATIQUE NON ALCOOLIQUE BASÉE SUR LE PROFIL MÉTABOLIQUE
  申请人：ONE WAY LIVER GENOMICS SL

  公开号：WO2011036117A1

  公开（公告）日：2011-03-31

  The invention relates to methods for the diagnosis of non-alcoholic steatosis (NASH). The method relies on the determination of certain metabolic markers in a biological sample of the patient which are up-or down-regulated in the NASH patients vs. patients with a simple fatty liver (steatosis).