3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844)

   

human metabolite


代谢物信息卡片


4-hydroxy-3-methoxy-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzoate

化学式: C53H79O4 (779.5978034)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: COC1=C(O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=CC(=C1)C([O-])=O
InChI: InChI=1S/C53H80O4/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-49-38-50(53(55)56)39-51(57-11)52(49)54/h20,22,24,26,28,30,32,34,36,38-39,54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3,(H,55,56)/p-1/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+

描述信息

3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate, also known as 4-hydroxy-3-methoxy-5-nonaprenylbenzoate or 3-nonaprenyl-4-hydroxy-5-methoxybenzoate, is a member of the class of compounds known as polyterpenoids. Polyterpenoids are terpenoids consisting of more than eight isoprene units. 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate can be found in a number of food items such as kombu, yellow pond-lily, root vegetables, and triticale, which makes 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate a potential biomarker for the consumption of these food products.

同义名列表

12 个代谢物同义名

4-hydroxy-3-methoxy-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzoate; all-trans-3-Nonaprenyl-4-hydroxy-5-methoxybenzoic acid; all-trans-4-Hydroxy-3-methoxy-5-nonaprenylbenzoic acid; 3-Methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoic acid; all-trans-4-Hydroxy-3-methoxy-5-nonaprenylbenzoate; all-trans-3-Nonaprenyl-4-hydroxy-5-methoxybenzoate; 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate; 4-Hydroxy-3-methoxy-5-nonaprenylbenzoic acid; 3-Nonaprenyl-4-hydroxy-5-methoxybenzoic acid; 3-Methoxy-4-hydroxy-5-nonaprenylbenzoic acid; 4-Hydroxy-3-methoxy-5-nonaprenylbenzoate; 3-Methoxy-4-hydroxy-5-nonaprenylbenzoate



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代谢反应

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1 个相关的物种来源信息

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  • 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。
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