3-Hydroxy-2-naphthoate (BioDeep_00000011048)
代谢物信息卡片
化学式: C11H8O3 (188.0473)
中文名称: 2-羟基-3-萘甲酸
谱图信息:
最多检出来源 Homo sapiens(lipidsearch) 11.8%
分子结构信息
SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O
InChI: InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)
描述信息
CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4370; ORIGINAL_PRECURSOR_SCAN_NO 4369
CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4410; ORIGINAL_PRECURSOR_SCAN_NO 4409
CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4389; ORIGINAL_PRECURSOR_SCAN_NO 4388
CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4390; ORIGINAL_PRECURSOR_SCAN_NO 4389
CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8941; ORIGINAL_PRECURSOR_SCAN_NO 8939
CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9011; ORIGINAL_PRECURSOR_SCAN_NO 9007
CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4419; ORIGINAL_PRECURSOR_SCAN_NO 4418
CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8996; ORIGINAL_PRECURSOR_SCAN_NO 8992
CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8968; ORIGINAL_PRECURSOR_SCAN_NO 8964
CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4369; ORIGINAL_PRECURSOR_SCAN_NO 4368
同义名列表
数据库引用编号
22 个数据库交叉引用编号
- ChEBI: CHEBI:80383
- KEGG: C16212
- KEGGdrug: D77800
- PubChem: 7104
- Metlin: METLIN71153
- ChEMBL: CHEMBL229301
- CAS: 92-70-6
- MoNA: LU084654
- MoNA: LU084656
- MoNA: LU084606
- MoNA: LU084604
- MoNA: LU084653
- MoNA: LU084603
- MoNA: LU084652
- MoNA: LU084605
- MoNA: LU084651
- MoNA: LU084655
- PMhub: MS000024984
- PubChem: 47205520
- PDB-CCD: BZJ
- NIKKAJI: J4.659K
- KNApSAcK: 80383
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)
0 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
- Shyamal Kr Ghorai, Debi Ranjan Tripathy, Swagata Dasgupta, Sanjib Ghosh. Location and binding mechanism of an ESIPT probe 3-hydroxy-2-naphthoic acid in unsaturated fatty acid bound serum albumins.
Journal of photochemistry and photobiology. B, Biology.
2014 Feb; 131(?):1-15. doi:
10.1016/j.jphotobiol.2013.12.007. [PMID: 24463545] - Hongyuan Yan, Fang Wang, Dandan Han, Gengliang Yang. Simultaneous determination of four plant hormones in bananas by molecularly imprinted solid-phase extraction coupled with high performance liquid chromatography.
The Analyst.
2012 Jun; 137(12):2884-90. doi:
10.1039/c2an35362h. [PMID: 22553770] - Ejaz Ahmad, Gulam Rabbani, Nida Zaidi, Basir Ahmad, Rizwan Hasan Khan. Pollutant-induced modulation in conformation and β-lactamase activity of human serum albumin.
PloS one.
2012; 7(6):e38372. doi:
10.1371/journal.pone.0038372. [PMID: 22685563] - Pinki Saha Sardar, Subhodip Samanta, Shyam Sundar Maity, Swagata Dasgupta, Sanjib Ghosh. Energy transfer photophysics from serum albumins to sequestered 3-hydroxy-2-naphthoic acid, an excited state intramolecular proton-transfer probe.
The journal of physical chemistry. B.
2008 Mar; 112(11):3451-61. doi:
10.1021/jp074598+. [PMID: 18293954] - Suja Shrestha, Bharat Raj Bhattarai, Keun-Hyeung Lee, Hyeongjin Cho. Mono- and disalicylic acid derivatives: PTP1B inhibitors as potential anti-obesity drugs.
Bioorganic & medicinal chemistry.
2007 Oct; 15(20):6535-48. doi:
10.1016/j.bmc.2007.07.010. [PMID: 17692525] - Gerd Ohlenbusch, Christian Zwiener, Rainer U Meckenstock, Fritz H Frimmel. Identification and quantification of polar naphthalene derivatives in contaminated groundwater of a former gas plant site by liquid chromatography-electrospray ionization tandem mass spectrometry.
Journal of chromatography. A.
2002 Aug; 967(2):201-7. doi:
10.1016/s0021-9673(02)00785-9. [PMID: 12685567]
