3,4-Methylenedioxy-N-ethylamphetamine (BioDeep_00000180675)

 

Secondary id: BioDeep_00000397877

human metabolite blood metabolite


代谢物信息卡片


1,3-Benzodioxole-5-ethanamine, N-ethyl-alpha-methyl-, hydrochloride (1:1)

  化学式: C12H17NO2 (207.1259)
中文名称: 3,4-亚甲二氧基-N-乙基安非他命, 3,4-亚甲二氧基-N-乙基苯丙胺
  谱图信息: 最多检出来源 not specific(not specific) 0%

分子结构信息

SMILES: CCNC(C)CC1=CC2=C(C=C1)OCO2
InChI: InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3


描述信息

D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents
D049990 - Membrane Transport Modulators

同义名列表

58 个代谢物同义名

1,3-Benzodioxole-5-ethanamine, N-ethyl-alpha-methyl-, hydrochloride (1:1); (+--)-N-Ethyl-alpha-methyl-3,4-(methylenedioxy)phenethylamine; [1-(2H-1,3-benzodioxol-5-yl)propan-2-yl](ethyl)amine; 3,4-Methylenedioxyethylamphetamine hydrochloride; (S)-Isomer OF 3,4-methylenedioxyethamphetamine; (R)-Isomer OF 3,4-methylenedioxyethamphetamine; (R,S)-N-Ethyl-3,4-methylenedioxyamphetamine; Methylenedioxyethamphetamine hydrochloride; HCL OF 3,4-Methylenedioxyethamphetamine; (R)-3,4-Methylenedioxyethylamphetamine; (S)-3,4-Methylenedioxyethylamphetamine; N-Ethyl-3,4-methylenedioxyamphetamine; 3,4-Methylenedioxy-N-ethylamphetamine; D-3,4-Methylenedioxyethylamphetamine; 3,4-Methylenedioxyethylamphetamine; (R)-Methylenedioxyethylamphetamine; (S)-Methylenedioxyethylamphetamine; 3,4-Methylenedioxyethamphetamine; methylenedioxyethylamphetamine; Methylenedioxyethamphetamine; MDEA hydrochloride; EVE (amphetamine); MDE hydrochloride; AURORA KA-7747; N-Ethyl-mda; N-MDE; MDEA; rac-MDEA (rac-3,4-Methylenedioxy-N-ethylamphetamine) 1.0 mg/ml in Methanol; UNII-ML1I4KK67B; 3,4-Methylenedioxy-N-ethylamphetamine; (+-)-MDE; (+-)-N-ethyl-3,4-methylenedioxyamphetamine; (+/-)-3,4-Methylenedioxyethylamphetamine; (+/-)-MDE; (+/-)-Mdea-d6[(+/-)-3,4-methylenedioxyethylamphetamine-d6]; (+/-)-N-ETHYL-3,4-METHYLENEDIOXYAMPHETAMINE; (1-(2H-1,3-benzodioxol-5-yl)propan-2-yl)(ethyl)amine; 1-(1,3-Benzodioxol-5-yl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine Hydrochloride; 1-(1,3-Benzodioxol-5-yl)-N-ethyl-2-propanamine; 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine; 1-(benzo[d][1,3]dioxol-5-yl)-N-ethylpropan-2-amine; 1,3-Benzodioxole-5-ethanamine, N-ethyl-.alpha.-methyl-; 1,3-benzodioxole-5-ethanamine, N-ethyl-alpha-methyl-; 1,3-Benzodioxole-5-ethanamine, N-ethyl-alpha-methyl-, (+-)-; 3,4-Methylenedioxyethamphetamine (MDEA); MDE; MDE (-)-; MDE (+-); MDE (PSYCHEDELIC); MDE [MI]; MDE, (+)-; Methylenedioxyamphetamine, N-ethyl; ML1I4KK67B; N-Ethyl MDA; N-Ethyl-.alpha.-methyl-1,3-benzodioxole-5-ethanamine; N-Ethyl-1-[(1,3-benzodioxole-5-yl)methyl]ethanamine; N-Ethyl-alpha-methyl-3,4-(methylenedioxy)phenethylamine; N-Ethyl-alpha-methyl-3,4-methylenedioxyphenethylamine



数据库引用编号

11 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。

亚细胞结构定位 关联基因列表


文献列表

  • Thomas J F Angenoorth, Stevan Stankovic, Marco Niello, Marion Holy, Simon D Brandt, Harald H Sitte, Julian Maier. Interaction Profiles of Central Nervous System Active Drugs at Human Organic Cation Transporters 1-3 and Human Plasma Membrane Monoamine Transporter. International journal of molecular sciences. 2021 Nov; 22(23):. doi: 10.3390/ijms222312995. [PMID: 34884800]
  • Marie Mardal, Juliet Kinyua, Pedram Ramin, Bram Miserez, Alexander L N Van Nuijs, Adrian Covaci, Markus R Meyer. Screening for illicit drugs in pooled human urine and urinated soil samples and studies on the stability of urinary excretion products of cocaine, MDMA, and MDEA in wastewater by hyphenated mass spectrometry techniques. Drug testing and analysis. 2017 Jan; 9(1):106-114. doi: 10.1002/dta.1957. [PMID: 26888521]
  • Hei Hwa Lee, Jong Feng Lee, Sin Yu Lin, Ping Ho Chen, Bai Hsiun Chen. Simultaneous determination of HFBA-derivatized amphetamines and ketamines in urine by gas chromatography-mass spectrometry. Journal of analytical toxicology. 2011 Apr; 35(3):162-9. doi: 10.1093/anatox/35.3.162. [PMID: 21439152]
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  • Peter R Stout, Nichole D Bynum, Cynthia M Lewallen, John M Mitchell, Michael R Baylor, Jeri D Ropero-Miller. A comparison of the validity of gas chromatography-mass spectrometry and liquid chromatography-tandem mass spectrometry analysis of urine samples II: amphetamine, methamphetamine, (±)-3,4-methylenedioxyamphetamine, (±)-3,4-methylenedioxymethamphetamine, (±)-3,4-methylenedioxyethylamphetamine, phencyclidine, and (±)-11-nor-9-carboxy-Δ⁹-tetrahydrocannabinol. Journal of analytical toxicology. 2010 Oct; 34(8):430-43. doi: 10.1093/jat/34.8.430. [PMID: 21819787]
  • Aysel Oztunç, Armağan Onal, Sidika Ertürk Toker. Detection of methamphetamine, methylenedioxymethamphetamine, and 3,4-methylenedioxy-N-ethylamphetamine in spiked plasma by HPLC and TLC. Journal of AOAC International. 2010 Mar; 93(2):556-61. doi: 10.1093/jaoac/93.2.556. [PMID: 20480903]
  • Jared W Young, Andrew K L Goey, Arpi Minassian, William Perry, Martin P Paulus, Mark A Geyer. GBR 12909 administration as a mouse model of bipolar disorder mania: mimicking quantitative assessment of manic behavior. Psychopharmacology. 2010 Feb; 208(3):443-54. doi: 10.1007/s00213-009-1744-8. [PMID: 20020109]
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  • Melanie Mueller, Frank T Peters, George A Ricaurte, Hans H Maurer. Validated liquid chromatographic-electrospray ionization mass spectrometric assay for simultaneous determination of 3,4-methylenedioxymethamphetamine and its metabolites 3,4-methylenedioxyamphetamine, 3,4-dihydroxymethamphetamine, and 4-hydroxy-3-methoxymethamphetamine in squirrel monkey plasma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2007 Aug; 855(2):262-70. doi: 10.1016/j.jchromb.2007.06.034. [PMID: 17646137]
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  • Sandra Valtier, Clyde F Phelix, John T Cody. Analysis of MDMA and its metabolites in urine and plasma following a neurotoxic dose of MDMA. Journal of analytical toxicology. 2007 Apr; 31(3):138-43. doi: 10.1093/jat/31.3.138. [PMID: 17579960]
  • Kathrin Libiseller, Marion Pavlic, Petra Grubwieser, Walter Rabl. An announced suicide with ecstasy. International journal of legal medicine. 2007 Jan; 121(1):40-3. doi: 10.1007/s00414-005-0039-9. [PMID: 16175411]
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  • Frank T Peters, Nele Samyn, Caroline T J Lamers, Wim J Riedel, Thomas Kraemer, Gert de Boeck, Hans H Maurer. Drug testing in blood: validated negative-ion chemical ionization gas chromatographic-mass spectrometric assay for enantioselective measurement of the designer drugs MDEA, MDMA, and MDA and its application to samples from a controlled study with MDMA. Clinical chemistry. 2005 Oct; 51(10):1811-22. doi: 10.1373/clinchem.2005.052746. [PMID: 16099938]
  • José Luiz da Costa, Alice Aparecida da Matta Chasin. Determination of MDMA, MDEA and MDA in urine by high performance liquid chromatography with fluorescence detection. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2004 Nov; 811(1):41-5. doi: 10.1016/j.jchromb.2004.03.076. [PMID: 15458720]
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