Rystal (BioDeep_00000860356)

   

Volatile Flavor Compounds


代谢物信息卡片


InChI=1\C8H9NO2\c1-6(10)9-7-3-2-4-8(11)5-7\h2-5,11H,1H3,(H,9,10

化学式: C8H9NO2 (151.0633254)
中文名称: 3-羟基乙酰苯胺
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(=O)NC1=CC(=CC=C1)O
InChI: InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)

描述信息

D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
D002491 - Central Nervous System Agents > D000700 - Analgesics

同义名列表

56 个代谢物同义名

InChI=1\C8H9NO2\c1-6(10)9-7-3-2-4-8(11)5-7\h2-5,11H,1H3,(H,9,10; 3-(Acetylamino)-1-hydroxybenzene; Acetamide, N-(3-hydroxyphenyl)-; N-(3-hydroxyphenyl)ethanamide; N-(3-Hydroxyphenyl)acetamide; Metacetamolum [INN-Latin]; 1-(3-Hydroxyphenyl)urea; Acetanilide, 3-hydroxy-; N-Acetyl-m-aminophenol; Metacetamol [BAN:INN]; 3-(Acetylamino)phenol; m-(Acetylamino)phenol; 3-Hydroxyacetanilide; m-Hydroxyacetanilide; Metacetamolo [DCIT]; 3-Acetamidophenol; m-Acetamidophenol; Spectrum2_000517; Spectrum5_000701; EINECS 210-687-0; Spectrum4_000086; Spectrum3_001262; Spectrum_000976; NCGC00091423-02; NCGC00091423-03; SpecPlus_000775; NCGC00091423-01; SPECTRUM211175; A7205_ALDRICH; KBioGR_000352; BSPBio_002824; DivK1c_006871; KBioSS_001456; KBio2_004024; SPBio_000473; KBio2_006592; KBio2_001456; ZINC00001691; KBio3_002324; KBio1_001815; Metacetamol; BRN 0907998; 00350_FLUKA; CCRIS 4567; AI3-01929; Pedituss; RH 01842; NSC 3990; 621-42-1; NSC3990; Pyrapap; Metalid; BS 479; BS 749; Rystal; Metacetamol



数据库引用编号

4 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)

1 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

  • Mark J Henderson, Kathleen A Trychta, Shyh-Ming Yang, Susanne Bäck, Adam Yasgar, Emily S Wires, Carina Danchik, Xiaokang Yan, Hideaki Yano, Lei Shi, Kuo-Jen Wu, Amy Q Wang, Dingyin Tao, Gergely Zahoránszky-Kőhalmi, Xin Hu, Xin Xu, David Maloney, Alexey V Zakharov, Ganesha Rai, Fumihiko Urano, Mikko Airavaara, Oksana Gavrilova, Ajit Jadhav, Yun Wang, Anton Simeonov, Brandon K Harvey. A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. Cell reports. 2021 04; 35(4):109040. doi: 10.1016/j.celrep.2021.109040. [PMID: 33910017]
  • Tobie D Lee, Olivia W Lee, Kyle R Brimacombe, Lu Chen, Rajarshi Guha, Sabrina Lusvarghi, Bethilehem G Tebase, Carleen Klumpp-Thomas, Robert W Robey, Suresh V Ambudkar, Min Shen, Michael M Gottesman, Matthew D Hall. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology. 2019 11; 96(5):629-640. doi: 10.1124/mol.119.115964. [PMID: 31515284]
  • Rachel P L van Swelm, Mackenzie Hadi, Coby M M Laarakkers, Rosalinde Masereeuw, Geny M M Groothuis, Frans G M Russel. Proteomic profiling in incubation medium of mouse, rat and human precision-cut liver slices for biomarker detection regarding acute drug-induced liver injury. Journal of applied toxicology : JAT. 2014 Sep; 34(9):993-1001. doi: 10.1002/jat.2917. [PMID: 24038040]
  • Seon Mi Jin, Hong Ryang Kil, Kwangsik Park, Chung Il Noh. Gene expression in rat hearts following oral administration of a single hepatotoxic dose of acetaminophen. Yonsei medical journal. 2012 Jan; 53(1):172-80. doi: 10.3349/ymj.2012.53.1.172. [PMID: 22187249]
  • A K Hewavitharana, S Lee, P A Dawson, D Markovich, P N Shaw. Development of an HPLC-MS/MS method for the selective determination of paracetamol metabolites in mouse urine. Analytical biochemistry. 2008 Mar; 374(1):106-11. doi: 10.1016/j.ab.2007.11.011. [PMID: 18082126]
  • M L Adams, R H Pierce, M E Vail, C C White, R P Tonge, T J Kavanagh, N Fausto, S D Nelson, S A Bruschi. Enhanced acetaminophen hepatotoxicity in transgenic mice overexpressing BCL-2. Molecular pharmacology. 2001 Nov; 60(5):907-15. doi: 10.1124/mol.60.5.907. [PMID: 11641418]
  • L Romanelli, P Valeri, L A Morrone, G Pimpinella. Ocular disposition of acetaminophen and its metabolites following intravenous administration in rabbits. Journal of ocular pharmacology. 1991; 7(4):339-50. doi: 10.1089/jop.1991.7.339. [PMID: 1809792]
  • S A Roberts, V F Price, D J Jollow. Acetaminophen structure-toxicity studies: in vivo covalent binding of a nonhepatotoxic analog, 3-hydroxyacetanilide. Toxicology and applied pharmacology. 1990 Sep; 105(2):195-208. doi: 10.1016/0041-008x(90)90181-s. [PMID: 2219115]
  • M S Rashed, T G Myers, S D Nelson. Hepatic protein arylation, glutathione depletion, and metabolite profiles of acetaminophen and a non-hepatotoxic regioisomer, 3'-hydroxyacetanilide, in the mouse. Drug metabolism and disposition: the biological fate of chemicals. 1990 Sep; 18(5):765-70. doi: NULL. [PMID: 1981734]
  • M S Rashed, A J Streeter, S D Nelson. Investigations of the N-hydroxylation of 3'-hydroxyacetanilide, a non-hepatotoxic positional isomer of acetaminophen. Drug metabolism and disposition: the biological fate of chemicals. 1989 Jul; 17(4):355-9. doi: NULL. [PMID: 2571471]
  • M A Tirmenstein, S D Nelson. Subcellular binding and effects on calcium homeostasis produced by acetaminophen and a nonhepatotoxic regioisomer, 3'-hydroxyacetanilide, in mouse liver. The Journal of biological chemistry. 1989 Jun; 264(17):9814-9. doi: 10.1016/s0021-9258(18)81731-8. [PMID: 2524496]
  • M Hamilton, P T Kissinger. The metabolism of 2- and 3-hydroxyacetanilide. Determination of metabolic products by liquid chromatography/electrochemistry. Drug metabolism and disposition: the biological fate of chemicals. 1986 Jan; 14(1):5-12. doi: . [PMID: 2868865]
  • A J Streeter, S M Bjorge, D B Axworthy, S D Nelson, T A Baillie. The microsomal metabolism and site of covalent binding to protein of 3'-hydroxyacetanilide, a nonhepatotoxic positional isomer of acetaminophen. Drug metabolism and disposition: the biological fate of chemicals. 1984 Sep; 12(5):565-76. doi: NULL. [PMID: 6149906]
  • V J Cunningham, S P Tucker, E Bailey. Hydrolysis of oleylanilide in the rat. Archives of toxicology. 1983 Oct; 54(2):157-62. doi: 10.1007/bf01261384. [PMID: 6651528]
  • P H Grantham. The metabolic basis for inhibitory effects in chemical carcinogenesis by arylamines. National Cancer Institute monograph. 1981 Dec; ?(58):79-84. doi: . [PMID: 7341986]
  • E B Nelson. The pharmacology and toxicology of meta-substituted acetanilide I: acute toxicity of 3-hydroxyacetanilide in mice. Research communications in chemical pathology and pharmacology. 1980 Jun; 28(3):447-56. doi: NULL. [PMID: 7403659]