BENZENESULFONIC ACID (BioDeep_00000275494)

代谢物信息卡片

BENZENESULFONIC ACID

化学式: C6H6O3S (158.0037646)
中文名称: 苯磺酸
谱图信息: 最多检出来源 Viridiplantae(plant) 62.5%

分子结构信息

SMILES: C1=CC=C(C=C1)S(=O)(=O)O
InChI: InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 1369; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1375; ORIGINAL_PRECURSOR_SCAN_NO 1374
CONFIDENCE standard compound; INTERNAL_ID 1369; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1393; ORIGINAL_PRECURSOR_SCAN_NO 1392
CONFIDENCE standard compound; INTERNAL_ID 1369; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1384; ORIGINAL_PRECURSOR_SCAN_NO 1383
CONFIDENCE standard compound; INTERNAL_ID 1369; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1391; ORIGINAL_PRECURSOR_SCAN_NO 1390
CONFIDENCE standard compound; INTERNAL_ID 1369; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1394; ORIGINAL_PRECURSOR_SCAN_NO 1393
CONFIDENCE standard compound; INTERNAL_ID 1369; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1412; ORIGINAL_PRECURSOR_SCAN_NO 1411
CONFIDENCE standard compound; INTERNAL_ID 2388
CONFIDENCE standard compound; INTERNAL_ID 8695

同义名列表

1 个代谢物同义名

BENZENESULFONIC ACID

数据库引用编号

16 个数据库交叉引用编号

ChEBI: CHEBI:64455
KEGGdrug: D89012
PubChem: 7371
ChEMBL: CHEMBL1422641
CAS: 98-11-3
MoNA: LU136956
MoNA: LU136955
MoNA: LU136954
MoNA: LU136953
MoNA: LU136952
MoNA: LU136951
MoNA: AU238862
MoNA: AU238858
MoNA: AU238857
MoNA: SM869553
PMhub: MS000007874

分类词条

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

Stefania Lama, Ester Pagano, Francesca Borrelli, Maria Maisto, Gian Carlo Tenore, Maria Francesca Nanì, Pilar Chacon-Millan, Ettore Novellino, Paola Stiuso. Polyphenol-Rich Extract from 'Limoncella' Apple Variety Ameliorates Dinitrobenzene Sulfonic Acid-Induced Colitis and Linked Liver Damage. International journal of molecular sciences. 2024 Mar; 25(6):. doi: 10.3390/ijms25063210. [PMID: 38542183]
Shengdong Pan, Jiabin Zhang, Qian He, Xiaohong Chen, Micong Jin. Fabrication of benzenesulfonic acid groups modified magnetic microspheres as an MSPE adsorbent for fast determination of paraquat and diquat in human urine combined with UPLC-HRMS. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2020 Jan; 1136(?):121880. doi: 10.1016/j.jchromb.2019.121880. [PMID: 31805401]
Atsushi Tajima, Koji Yamamoto, Akinori Kozakai, Lisa Okumura-Kitajima, Yasuo Mita, Kiyokazu Kitano, Shigeji Jingu, Shiro Nakaike. (2S,4S)-4-Fluoro-1-{[(2-hydroxy-1,1-dimethylethyl)amino]acetyl}-pyrrolidine-2-carbonitrile monobenzenesulfonate (TS-021) is a selective and reversible dipeptidyl peptidase IV inhibitor. European journal of pharmacology. 2011 Mar; 655(1-3):99-107. doi: 10.1016/j.ejphar.2011.01.010. [PMID: 21262219]
Keiichi Karasugi, Hiroaki Kitagishi, Koji Kano. Gold nanoparticles carrying diatomic molecules (O2 and CO) in aqueous solution. Chemistry, an Asian journal. 2011 Mar; 6(3):825-33. doi: 10.1002/asia.201000756. [PMID: 21265023]
Elena I Sinauridze, Alexey N Romanov, Irina V Gribkova, Olga A Kondakova, Stepan S Surov, Aleksander S Gorbatenko, Andrey A Butylin, Mikhail Yu Monakov, Alexey A Bogolyubov, Yuryi V Kuznetsov, Vladimir B Sulimov, Fazoyl I Ataullakhanov. New synthetic thrombin inhibitors: molecular design and experimental verification. PloS one. 2011; 6(5):e19969. doi: 10.1371/journal.pone.0019969. [PMID: 21603576]
Mahreen Arooj, Sundarapandian Thangapandian, Shalini John, Swan Hwang, Jong Keun Park, Keun Woo Lee. 3D QSAR pharmacophore modeling, in silico screening, and density functional theory (DFT) approaches for identification of human chymase inhibitors. International journal of molecular sciences. 2011; 12(12):9236-64. doi: 10.3390/ijms12129236. [PMID: 22272131]
John D Leszyk. Evaluation of the new MALDI matrix 4-chloro-alpha-cyanocinnamic acid. Journal of biomolecular techniques : JBT. 2010 Jul; 21(2):81-91. doi: NULL. [PMID: 20592871]
M CERRAHOGLU, A TANER KURDAL, I ISKESEN, E ONUR, H SIRIN. Calcium dobesilate reduces oxidative stress in cardiac surgery. The Journal of cardiovascular surgery. 2009 Oct; 50(5):695-701. doi: NULL. [PMID: 19339957]
Chenghui Han, Zhiyu Li, Jianyi Shen. Photocatalytic degradation of dodecyl-benzenesulfonate over TiO2-Cu2O under visible irradiation. Journal of hazardous materials. 2009 Aug; 168(1):215-9. doi: 10.1016/j.jhazmat.2009.02.020. [PMID: 19342164]
Caroline Sablayrolles, Mireille Montréjaud-Vignoles, Jérôme Silvestre, Michel Treilhou. Trace determination of linear alkylbenzene sulfonates: application in artificially polluted soil-carrots system. International journal of analytical chemistry. 2009; 2009(?):404836. doi: 10.1155/2009/404836. [PMID: 20107562]
Lisa M Kaminskas, Ben J Boyd, Peter Karellas, Scott A Henderson, Michael P Giannis, Guy Y Krippner, Christopher J H Porter. Impact of surface derivatization of poly-L-lysine dendrimers with anionic arylsulfonate or succinate groups on intravenous pharmacokinetics and disposition. Molecular pharmaceutics. 2007 Nov; 4(6):949-61. doi: 10.1021/mp070047s. [PMID: 17953445]
Claire Richards, Gordon J T Tiddy, Siobhan Casey. Lateral phase separation gives multiple lamellar phases in a 'binary' surfactant/water system: the phase behavior of sodium alkyl benzene sulfonate/water mixtures. Langmuir : the ACS journal of surfaces and colloids. 2007 Jan; 23(2):467-74. doi: 10.1021/la0617154. [PMID: 17209595]
A Breier, V Bohácová, P Docolomanský. Inhibition of (Na(+)/K(+))-ATPase by Cibacron Blue 3G-A and its analogues. General physiology and biophysics. 2006 Dec; 25(4):439-53. doi: NULL. [PMID: 17356235]
M T García, E Campos, I Ribosa, A Latorre, J Sánchez-Leal. Anaerobic digestion of linear alkyl benzene sulfonates: biodegradation kinetics and metabolite analysis. Chemosphere. 2005 Sep; 60(11):1636-43. doi: 10.1016/j.chemosphere.2005.02.048. [PMID: 16083770]
R Mungur, A D M Glass, D B Goodenow, D A Lightfoot. Metabolite fingerprinting in transgenic Nicotiana tabacum altered by the Escherichia coli glutamate dehydrogenase gene. Journal of biomedicine & biotechnology. 2005 Jun; 2005(2):198-214. doi: 10.1155/jbb.2005.198. [PMID: 16046826]
Zeki Altun, Mohamed Abdel-Rehim, Lars G Blomberg. New trends in sample preparation: on-line microextraction in packed syringe (MEPS) for LC and GC applications Part III: Determination and validation of local anaesthetics in human plasma samples using a cation-exchange sorbent, and MEPS-LC-MS-MS. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2004 Dec; 813(1-2):129-35. doi: 10.1016/j.jchromb.2004.09.020. [PMID: 15556525]
Luo Yan, Christa E Müller. Preparation, properties, reactions, and adenosine receptor affinities of sulfophenylxanthine nitrophenyl esters: toward the development of sulfonic acid prodrugs with peroral bioavailability. Journal of medicinal chemistry. 2004 Feb; 47(4):1031-43. doi: 10.1021/jm0310030. [PMID: 14761205]
H Temmink, Bram Klapwijk. Fate of linear alkylbenzene sulfonate (LAS) in activated sludge plants. Water research. 2004 Feb; 38(4):903-12. doi: 10.1016/j.watres.2003.10.050. [PMID: 14769410]
M Segura, J Ortuño, J A McLure, M Pujadas, N Pizarro, M Farré, A Llebaria, J Joglar, J Segura, R de la Torre. High-performance liquid chromatography with electrochemical detection applied to the analysis of 3,4-dihydroxymethamphetamine in human plasma and urine. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2002 Apr; 769(2):313-21. doi: 10.1016/s1570-0232(02)00020-x. [PMID: 11996497]
B Wendler, B Goers, G Wozny. Regeneration of process water containing surfactants by nanofiltration--investigation and modelling of mass transport. Water science and technology : a journal of the International Association on Water Pollution Research. 2002; 46(4-5):287-92. doi: 10.2166/wst.2002.0607. [PMID: 12361023]
L Zhong, R Eisenhandler, K C Yeh. Determination of famotidine in low-volume human plasma by normal-phase liquid chromatography/tandem mass spectrometry. Journal of mass spectrometry : JMS. 2001 Jul; 36(7):736-41. doi: 10.1002/jms.176. [PMID: 11473396]
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