Bucetin (BioDeep_00000015144)

   


代谢物信息卡片


3-Hydroxy-4-butyrophenetidide

  化学式: C12H17NO3 (223.1208)
中文名称: 羟丁酰胺苯醚, 布西汀
  谱图信息: 最多检出来源 Homo sapiens(not specific) 0.69%

分子结构信息

SMILES: CCOC1=CC=C(C=C1)NC(=O)CC(C)O
InChI: InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)


描述信息

N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BE - Anilides
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3469; ORIGINAL_PRECURSOR_SCAN_NO 3465
CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3475; ORIGINAL_PRECURSOR_SCAN_NO 3473
CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3486; ORIGINAL_PRECURSOR_SCAN_NO 3483
CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3465; ORIGINAL_PRECURSOR_SCAN_NO 3462
CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3484; ORIGINAL_PRECURSOR_SCAN_NO 3482
CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3508; ORIGINAL_PRECURSOR_SCAN_NO 3507
CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7495; ORIGINAL_PRECURSOR_SCAN_NO 7493
CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7483; ORIGINAL_PRECURSOR_SCAN_NO 7481
CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7505; ORIGINAL_PRECURSOR_SCAN_NO 7504
CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7516; ORIGINAL_PRECURSOR_SCAN_NO 7513
CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7539; ORIGINAL_PRECURSOR_SCAN_NO 7535
CONFIDENCE standard compound; INTERNAL_ID 770; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7505; ORIGINAL_PRECURSOR_SCAN_NO 7503

同义名列表

62 个代谢物同义名

Bucetin; 3-Hydroxy-4-butyrophenetidide; UNII-6M7CVQ8PF8; UNII-PLF54F8S2F; Bucetin; .beta.-Hydroxybutyric acid p-phenetidide; .beta.-Hydroxybutyric acid-p-phenetidide; .beta.-Oxybuttersaeure-p-phenetidid; (-)-Bucetin; (+)-Bucetin; (+/-)-Bucetin; 1Z23WB033I; 3-hydroxy-p-butyrophenetidid; 3-Hydroxy-p-butyrophenetidide; 3-Hydroxy-p-butyrophenetidine; 4-13-00-01216 (Beilstein Handbook Reference); 4'-Ethoxy-3-hydroxybutyranilide; 6M7CVQ8PF8; BETA-HYDROXYBUTYRIC ACID P-PHENETIDIDE; beta-hydroxybutyric acid-p-phenetidide; beta-Oxybuttersaeure-p-phenetidid; beta-Oxybuttersaeure-p-phenetidid [German]; Betadid; Bucetin (JAN/INN); Bucetin [INN:BAN:JAN]; BUCETIN [INN]; BUCETIN [JAN]; BUCETIN [MI]; BUCETIN [WHO-DD]; Bucetin, (-)-; Bucetin, (+)-; Bucetin, analytical standard; Bucetina; Bucetina (INN-Spanish); Bucetina [INN-Spanish]; Bucetine; Bucetine (INN-French); Bucetine [INN-French]; Bucetinum; Bucetinum (INN-Latin); Bucetinum [INN-Latin]; Butanamide, N-(4-ethoxyphenyl)-3-hydroxy-; Butanamide, N-(4-ethoxyphenyl)-3-hydroxy-, (-)-; Butanamide, N-(4-ethoxyphenyl)-3-hydroxy-, (+)-; Butyranilide, 4'-ethoxy-3-hydroxy-; InChI=1/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15); LIAWQASKBFCRNR-UHFFFAOYSA-; N-(3-Hydroxybutyryl)-p-phenetidine; N-(4-Ethoxyphenyl)-3-hydroxybutanamide; N-(4-Ethoxyphenyl)-3-hydroxybutanamide #; N-(beta-hydroxybutyryl)-p-phenetidine; N-[4-(ethyloxy)phenyl]-3-hydroxybutanamide; N02BE04; NHB-PPT; p-BUTYROPHENETIDIDE, 3-HYDROXY-; p-Ethoxy-N-(.beta.-hydroxybutyryl)aniline; PLF54F8S2F; Tox21_112334; Tox21_112334_1; Tox21_201816; Tox21_302889; UNII-1Z23WB033I



数据库引用编号

23 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome()

BioCyc()

PlantCyc()

代谢反应

个相关的代谢反应过程信息。

Reactome()

BioCyc()

WikiPathways()

Plant Reactome()

INOH()

PlantCyc()

COVID-19 Disease Map()

PathBank()

PharmGKB()

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。

亚细胞结构定位 关联基因列表


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]
  • K Togei, N Sano, T Maeda, M Shibata, H Otsuka. Carcinogenicity of bucetin in (C57BL/6 X C3H)F1 mice. Journal of the National Cancer Institute. 1987 Nov; 79(5):1151-8. doi: NULL. [PMID: 3479641]
  • K Kigasawa, M Hiiragi, T Hayashi, K Maruyama. [Biopharmaceutical studies of drugs (6). Effect of 2-bromo-isovalerylurea on serum concentrations of O-ethoxybenzamide and N-(beta-hydroxybutyryl)-p-phenetidine in rabbits]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan. 1983 May; 103(5):559-65. doi: . [PMID: 6644546]
  • K Kigasawa, M Hiiragi, T Hayashi. [Biopharmaceutical studies of drugs. III. Serum concentration level of o-ethoxybenzamide and N-(beta-hydroxybutyryl)-p-phenetidine after simultaneous administration to rabbit (author's transl)]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan. 1981 Jun; 101(6):556-66. doi: 10.1248/yakushi1947.101.6_556. [PMID: 7310638]