Monoethyl fumarate (BioDeep_00000412912)

   


代谢物信息卡片


2-Butenedioic acid (e)-, monoethyl ester

  化学式: C6H8O4 (144.0423)
中文名称: 富马酸单乙酯, 4-乙氧基-4-氧代丁基-2-烯酸
  谱图信息: 最多检出来源 () %

分子结构信息

SMILES: CCOC(=O)/C=C/C(=O)O
InChI: InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)


描述信息

D003879 - Dermatologic Agents
CONFIDENCE standard compound; INTERNAL_ID 241; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3196; ORIGINAL_PRECURSOR_SCAN_NO 3193
CONFIDENCE standard compound; INTERNAL_ID 241; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3196; ORIGINAL_PRECURSOR_SCAN_NO 3194
CONFIDENCE standard compound; INTERNAL_ID 241; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3183; ORIGINAL_PRECURSOR_SCAN_NO 3180
CONFIDENCE standard compound; INTERNAL_ID 241; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3184; ORIGINAL_PRECURSOR_SCAN_NO 3182
CONFIDENCE standard compound; INTERNAL_ID 241; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3260; ORIGINAL_PRECURSOR_SCAN_NO 3258
CONFIDENCE standard compound; INTERNAL_ID 241; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3196; ORIGINAL_PRECURSOR_SCAN_NO 3192

同义名列表

40 个代谢物同义名

Monoethyl fumarate; 2-Butenedioic acid (e)-, monoethyl ester; (2Z)-4-ethoxy-4-oxobut-2-enoic acid; (2E)-4-Ethoxy-4-oxo-2-butenoic acid; Fumaric acid monoethyl ester; Potassium ethyl fumarate; Ethyl hydrogen fumarate; 4-ethoxy-4-oxobut-2-enoic acid; Y3W849NG2N; zinc monoethylfumarate; 4-Ethoxy-4-oxobut-2-enoic acid; (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid; (2E)-4-Ethoxy-4-oxo-2-butenoic acid #; (2E)-4-ethoxy-4-oxobut-2-enoic acid; (E)-4-ethoxy-4-oxo-2-butenoic acid; (E)-4-ethoxy-4-oxobut-2-enoic acid; 2-Butenedioic acid (2E)-, 1-ethyl ester; 2-Butenedioic acid (E)-, monoethyl ester (9CI); calcium monoethylfumarate; ethyl fumarate; ETHYL FUMARATE [WHO-DD]; ethyl fumarate, 2 copper salt; ethyl fumarate, 2 ferrium salt; ethyl fumarate, calcium salt; ethyl fumarate, lithium salt; ethyl fumarate, maganeese salt; ethyl fumarate, sodium salt; ethyl fumarate, zinc salt; Ethylhydrogenfumarat; ethylhydrogenfumarate; fumaric acid mono-ethyl ester; Fumaric acid, ethyl ester; Fumaric acid, monoethyl ester; mono-Ethyl fumarate; mono-Ethyl fumarate, 95%; mono-Ethyl fumarate, certified reference material, TraceCERT(R); Monoethyl trans-2-butenedioate; propenoic acid, 3-ethoxycarbonyl-; Tox21_301978; UNII-Y3W849NG2N



数据库引用编号

13 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

  • Brian T Wipke, Robert Hoepner, Katrin Strassburger-Krogias, Ankur M Thomas, Davide Gianni, Suzanne Szak, Melanie S Brennan, Maximilian Pistor, Ralf Gold, Andrew Chan, Robert H Scannevin. Different Fumaric Acid Esters Elicit Distinct Pharmacologic Responses. Neurology(R) neuroimmunology & neuroinflammation. 2021 03; 8(2):. doi: 10.1212/nxi.0000000000000950. [PMID: 33468560]
  • Nicolle H R Litjens, Elisabeth van Strijen, Co van Gulpen, Herman Mattie, Jaap T van Dissel, H Bing Thio, Peter H Nibbering. In vitro pharmacokinetics of anti-psoriatic fumaric acid esters. BMC pharmacology. 2004 Oct; 4(?):22. doi: 10.1186/1471-2210-4-22. [PMID: 15479475]
  • W M Nugteren-Huying, J G van der Schroeff, J Hermans, D Suurmond. [Fumaric acid therapy in psoriasis; a double-blind, placebo-controlled study]. Nederlands tijdschrift voor geneeskunde. 1990 Dec; 134(49):2387-91. doi: NULL. [PMID: 2263264]
  • M Hohenegger, M Vermes, A Sadjak, G Egger, S Supanz, U Erhart. Nephrotoxicity of fumaric acid monoethylester (FA ME). Advances in experimental medicine and biology. 1989; 252(?):265-72. doi: 10.1007/978-1-4684-8953-8_25. [PMID: 2782199]