4-Methylbenzaldehyde (BioDeep_00000006322)
Secondary id: BioDeep_00000862350, BioDeep_00001867714
human metabolite PANOMIX_OTCML-2023 Endogenous
代谢物信息卡片
化学式: C8H8O (120.0575)
中文名称: 对甲基苯甲醛, 4-甲基苯甲醛
谱图信息:
最多检出来源 Homo sapiens(feces) 8.45%
分子结构信息
SMILES: c1c(ccc(c1)C=O)C
InChI: InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
描述信息
4-Methylbenzaldehyde, also known as p-toluylaldehyde or p-formyltoluene, belongs to the class of organic compounds known as benzoyl derivatives. A tolualdehyde compound with the methyl substituent at the 4-position. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). 4-Methylbenzaldehyde is a cherry and fruity tasting compound. 4-Methylbenzaldehyde has been detected, but not quantified, in several different foods, such as caraway, sweet cherries, tea, nuts, and coffee and coffee products.
Component of *FEMA 3068* together with the o- and m-isomers. Flavouring ingredient. Methylbenzaldehydes are present in roasted nuts, cooked beef, cider, tomato, coffee, tea and elderberry juice. 4-Methylbenzaldehyde is found in many foods, some of which are tea, caraway, nuts, and garden tomato.
p-Tolualdehyde is an endogenous metabolite.
p-Tolualdehyde is an endogenous metabolite.
同义名列表
17 个代谢物同义名
Para-methylbenzaldehyde; 4-Methyl-benzaldehyde; p-Methylbenzaldehyde; 4-Methylbenzaldehyde; Para-toluyl aldehyde; Para-tolualdehyde; P-Toluic aldehyde; Paratolualdehyde; p-Toluylaldehyde; 4-Toluylaldehyde; p-Tolylaldehyde; p-Formyltoluene; p-Tolualdehyde; 4-Tolualdehyde; PTAL; p-Tolualdehyde; 4-Methylbenzaldehyde
数据库引用编号
19 个数据库交叉引用编号
- ChEBI: CHEBI:28617
- KEGG: C06758
- PubChem: 7725
- HMDB: HMDB0029638
- Metlin: METLIN66526
- ChEMBL: CHEMBL190927
- Wikipedia: 4-Methylbenzaldehyde
- MetaCyc: CPD-8773
- KNApSAcK: C00047546
- foodb: FDB000808
- chemspider: 13865424
- CAS: 104-87-0
- PMhub: MS000019346
- PubChem: 8979
- 3DMET: B01046
- NIKKAJI: J5.036I
- RefMet: 4-Methylbenzaldehyde
- medchemexpress: HY-W012860
- KNApSAcK: 28617
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
2 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(2)
- 1,4-dimethylbenzene degradation to 4-methylbenzoate:
1,4-dimethylbenzene + H+ + O2 + a reduced ferredoxin [iron-sulfur] cluster ⟶ 4-methylbenzyl alcohol + H2O + an oxidized ferredoxin [iron-sulfur] cluster - p-xylene degradation to p-toluate:
4-methylbenzaldehyde + H2O + NAD+ ⟶ 4-toluenecarboxylate + H+ + NADH
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
10 个相关的物种来源信息
- 1227633 - Artemisia minor: 10.1021/NP800643N
- 155124 - Aspalathus linearis: 10.1021/JF00062A024
- 48032 - Carum carvi: 10.1021/JF00047A021
- 114280 - Cichorium endivia: 10.1021/JF00068A014
- 328070 - Dactylanthus taylorii: 10.1016/0031-9422(95)00403-T
- 3635 - Gossypium hirsutum: 10.1021/JF60200A011
- 9606 - Homo sapiens: -
- 9606 - Homo sapiens: 10.1007/S11306-015-0840-5
- 127999 - Tanacetum parthenium: 10.1002/(SICI)1099-1026(199611)11:6<367::AID-FFJ598>3.0.CO;2-R
- 29760 - Vitis vinifera: 10.3389/FMICB.2017.00457
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
- Simone K Huber, Georg Höfner, Klaus T Wanner. Application of the concept of oxime library screening by mass spectrometry (MS) binding assays to pyrrolidine-3-carboxylic acid derivatives as potential inhibitors of γ-aminobutyric acid transporter 1 (GAT1).
Bioorganic & medicinal chemistry.
2019 07; 27(13):2753-2763. doi:
10.1016/j.bmc.2019.05.001. [PMID: 31097402] - Lu Song, Dan Gao, Shangfu Li, Yanwei Wang, Hongxia Liu, Yuyang Jiang. Simultaneous quantitation of hydrazine and acetylhydrazine in human plasma by high performance liquid chromatography-tandem mass spectrometry after derivatization with p-tolualdehyde.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2017 Sep; 1063(?):189-195. doi:
10.1016/j.jchromb.2017.08.036. [PMID: 28881295] - Jong H Kim, Kathleen L Chan, Noreen Mahoney, Bruce C Campbell. Antifungal activity of redox-active benzaldehydes that target cellular antioxidation.
Annals of clinical microbiology and antimicrobials.
2011 May; 10(?):23. doi:
10.1186/1476-0711-10-23. [PMID: 21627838] - Juan Huang, Yanli Feng, Jiamo Fu, Guoying Sheng. A method of detecting carbonyl compounds in tree leaves in China.
Environmental science and pollution research international.
2010 Jun; 17(5):1129-36. doi:
10.1007/s11356-009-0277-3. [PMID: 20016999] - Francesca Cutillo, Marina DellaGreca, Melania Gionti, Lucio Previtera, Armando Zarrelli. Phenols and lignans from Chenopodium album.
Phytochemical analysis : PCA.
2006 Sep; 17(5):344-9. doi:
10.1002/pca.924. [PMID: 17019936]
