Caffeic acid 4-O-sulfate (BioDeep_00000024213)

   

human metabolite Endogenous blood metabolite


代谢物信息卡片


(2E)-3-[3-Hydroxy-4-(sulphooxy)phenyl]prop-2-enoic acid

化学式: C9H8O7S (259.9990738)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(blood) 9.38%

分子结构信息

SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)OS(=O)(=O)O
InChI: InChI=1S/C9H8O7S/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+

描述信息

Caffeic acid 4-sulfate, also known as caffeate 4-sulphate or caffeic acid 4-sulphuric acid, is a member of the class of compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Caffeic acid 4-sulfate is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Caffeic acid 4-sulfate can be found primarily in blood and urine. Within the cell, caffeic acid 4-sulfate is primarily located in the cytoplasm. It can also be found in the extracellular space.
Caffeic acid 4-O-sulfate (CAS: 1213651-94-5) is a polyphenol metabolite detected in biological fluids (PMID: 20428313). Caffeic acid sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).

同义名列表

37 个代谢物同义名

(2E)-3-[3-Hydroxy-4-(sulphooxy)phenyl]prop-2-enoic acid; (2E)-3-[3-Hydroxy-4-(sulfooxy)phenyl]-2-propenoic acid; (2E)-3-[3-hydroxy-4-(sulfooxy)phenyl]prop-2-enoic acid; (2E)-3-[3-Hydroxy-4-(sulphooxy)phenyl]prop-2-enoate; (2E)-3-[3-Hydroxy-4-(sulfooxy)phenyl]prop-2-enoate; 3-[3-Hydroxy-4-(sulfooxy)phenyl]-2-propenoic acid; Caffeic acid 4-O-sulphuric acid; trans-Caffeic acid 4-O-sulphate; trans-Caffeic acid 4-O-sulfate; Caffeic acid 4-O-sulfuric acid; (e)-Caffeic acid 4-O-sulphate; trans-Caffeic acid 4-sulphate; Caffeic acid 4-sulphuric acid; (e)-Caffeic acid 4-O-sulfate; Caffeic acid 4-sulfuric acid; trans-Caffeic acid 4-sulfate; trans-Caffeic acid sulphate; (e)-Caffeic acid 4-sulphate; (e)-Caffeic acid 4-sulfate; trans-Caffeic acid sulfate; (e)-Caffeic acid sulphate; Caffeic acid 4-O-sulphate; (e)-Caffeic acid sulfate; Caffeic acid-4’-sulphate; Caffeic acid 4-O-sulfate; Caffeic acid-4’-sulfate; Caffeic acid 4-sulphate; Caffeic acid-4-sulphate; Caffeic acid 4-sulfate; Caffeic acid-4-sulfate; Caffeic acid sulphate; Caffeate 4-O-sulphate; Caffeic acid sulfate; Caffeate 4-O-sulfate; Caffeate 4-sulphate; Caffeate 4-sulfate; SCHEMBL17963698



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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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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。



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