Indole-3-carboxylic acid (BioDeep_00000002407)

 

Secondary id: BioDeep_00000397996, BioDeep_00000860817

human metabolite PANOMIX_OTCML-2023 natural product


代谢物信息卡片


1H-Indole-3-carboxylic acid

化学式: C9H7NO2 (161.0476762)
中文名称: 吲哚-3-羧酸
谱图信息: 最多检出来源 Homo sapiens(feces) 11.89%

Reviewed

Last reviewed on 2024-09-13.

Cite this Page

Indole-3-carboxylic acid. BioDeep Database v3. PANOMIX ltd, a top metabolomics service provider from China. https://query.biodeep.cn/s/indole-3-carboxylic_acid (retrieved 2024-12-04) (BioDeep RN: BioDeep_00000002407). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

分子结构信息

SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O
InChI: InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)

描述信息

Indole-3-carboxylic acid, also known as 3-carboxyindole or 3-indolecarboxylate, belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. Indolecarboxylic acids and derivatives are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. Naphthylmethylindoles: Any compound containing a 1H-indol-3-yl-(1-naphthyl)methane structure with substitution at the nitrogen atom of the indole ring by an alkyl, haloalkyl, alkenyl, cycloalkylmethyl, cycloalkylethyl, 1-(N-methyl-2-piperidinyl)methyl, or 2-(4-morpholinyl)ethyl group whether or not further substituted in the indole ring to any extent and whether or not substituted in the naphthyl ring to any extent. One example given is JWH-250. Outside of the human body, indole-3-carboxylic acid has been detected, but not quantified in several different foods, such as brassicas, broccoli, pulses, common beets, and barley. This could make indole-3-carboxylic acid a potential biomarker for the consumption of these foods. Notice the pentyl group substituted onto the nitrogen atom of the indole ring. Note that this definition encompasses only those compounds that have OH groups attached to both the phenyl and the cyclohexyl rings, and so does not include compounds such as O-1871 which lacks the cyclohexyl OH group, or compounds such as JWH-337 or JWH-344 which lack the phenolic OH group.
Present in plants, e.g. apple (Pyrus malus), garden pea (Pisum sativum) and brassicas
Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2].
Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2].

同义名列表

23 个代谢物同义名

1H-Indole-3-carboxylic acid; Indole-beta-carboxylic acid; Indole - 3 carboxylic acid; Indole-β-carboxylic acid; 3-Indolylcarboxylic acid; 3-Indole carboxylic acid; Indole-3-carboxylic acid; Indole-b-carboxylic acid; 1H-Indole-3-carboxylate; Indole-beta-carboxylate; 3-Indolecarboxylic acid; Indole-3-carboxylicacid; Indole - 3 carboxylate; 3-Indolylcarboxylate; Indole-b-carboxylate; Indole-β-carboxylate; Indole-3-carboxylate; 3-Indoleformic acid; 3-Indolecarboxylate; 3-Carboxyindole; 3-Indoleformate; Indole-3-carboxylic acid; Indole-3-carboxylate



数据库引用编号

18 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

174 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。



文献列表

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