1-Naphthaldehyde (BioDeep_00000009684)
Secondary id: BioDeep_00000858437
human metabolite natural product
代谢物信息卡片
化学式: C11H8O (156.0575)
中文名称: 1-萘甲醛, 1-萘
谱图信息:
最多检出来源 Homo sapiens(blood) 31.24%
分子结构信息
SMILES: C1=CC=C2C(=C1)C=CC=C2C=O
InChI: InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
描述信息
1-naphthaldehyde, also known as alpha-naphthal or 1-formylnaphthalene, is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 1-naphthaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-naphthaldehyde can be found in a number of food items such as black crowberry, devilfish, other soy product, and chinese bayberry, which makes 1-naphthaldehyde a potential biomarker for the consumption of these food products.
This compound belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
同义名列表
数据库引用编号
16 个数据库交叉引用编号
- ChEBI: CHEBI:52367
- KEGG: C14090
- PubChem: 6195
- HMDB: HMDB0060325
- Metlin: METLIN2757
- ChEMBL: CHEMBL3265260
- MetaCyc: CPD-7614
- foodb: FDB030250
- CAS: 30678-61-6
- CAS: 66-77-3
- PMhub: MS000023495
- PubChem: 854326
- NIKKAJI: J4.846A
- RefMet: 1-Naphthaldehyde
- KNApSAcK: 52367
- LOTUS: LTS0177965
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)
15 个相关的物种来源信息
- 7458 - Apidae: LTS0177965
- 7459 - Apis: LTS0177965
- 7461 - Apis cerana: 10.1371/JOURNAL.PONE.0175573
- 7461 - Apis cerana: LTS0177965
- 6656 - Arthropoda: LTS0177965
- 7711 - Chordata: LTS0177965
- 2759 - Eukaryota: LTS0177965
- 9606 - Homo sapiens: -
- 50557 - Insecta: LTS0177965
- 40674 - Mammalia: LTS0177965
- 33208 - Metazoa: LTS0177965
- 10066 - Muridae: LTS0177965
- 10088 - Mus: LTS0177965
- 10090 - Mus musculus: LTS0177965
- 10090 - Mus musculus: NA
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] - Felix Kern, Klaus T Wanner. Screening oxime libraries by means of mass spectrometry (MS) binding assays: Identification of new highly potent inhibitors to optimized inhibitors γ-aminobutyric acid transporter 1.
Bioorganic & medicinal chemistry.
2019 04; 27(7):1232-1245. doi:
10.1016/j.bmc.2019.02.015
. [PMID: 30777661] - Stefan Kneisel, Folker Westphal, Philippe Bisel, Volker Brecht, Sebastian Broecker, Volker Auwärter. Identification and structural characterization of the synthetic cannabinoid 3-(1-adamantoyl)-1-pentylindole as an additive in 'herbal incense'.
Journal of mass spectrometry : JMS.
2012 Feb; 47(2):195-200. doi:
10.1002/jms.2059
. [PMID: 22359329] - Marta D Heis, Elisabeth M Ditmer, Luisa A de Oliveira, Ana Paula G Frazzon, Rogério Margis, Jeverson Frazzon. Differential expression of cysteine desulfurases in soybean.
BMC plant biology.
2011 Nov; 11(?):166. doi:
10.1186/1471-2229-11-166
. [PMID: 22099069] - G Munz, D De Angelis, R Gori, G Mori, M Casarci, C Lubello. The role of tannins in conventional and membrane treatment of tannery wastewater.
Journal of hazardous materials.
2009 May; 164(2-3):733-9. doi:
10.1016/j.jhazmat.2008.08.070
. [PMID: 18835658] - B Chatveera, P Lertwattanaruk. Use of ready-mixed concrete plant sludge water in concrete containing an additive or admixture.
Journal of environmental management.
2009 Apr; 90(5):1901-8. doi:
10.1016/j.jenvman.2009.01.008
. [PMID: 19231063] - S Ganapaty, P Steve Thomas, Gloria Karagianis, Peter G Waterman, Reto Brun. Antiprotozoal and cytotoxic naphthalene derivatives from Diospyros assimilis.
Phytochemistry.
2006 Sep; 67(17):1950-6. doi:
10.1016/j.phytochem.2006.05.039
. [PMID: 16890968] - Frank T Lange, Michael Merklinger, Michael Wenz, Heinz-J Brauch, Markus Lehmann, Istvan Pinter. Occurrence and solid-liquid partition of sulfonated naphthalene-formaldehyde condensates in the aquatic environment.
Environmental science & technology.
2005 Mar; 39(6):1523-31. doi:
10.1021/es040081p
. [PMID: 15819205]