paraxanthine (BioDeep_00000399901)
Main id: BioDeep_00000001123
Secondary id: BioDeep_00000229699
natural product PANOMIX_OTCML-2023 BioNovoGene_Lab2019 Volatile Flavor Compounds
代谢物信息卡片
化学式: C7H8N4O2 (180.0647228)
中文名称: 1,7-二甲基黄嘌呤, 对黄嘌呤
谱图信息:
最多检出来源 Viridiplantae(plant) 0.1%
分子结构信息
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2)C
InChI: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
描述信息
A dimethylxanthine having the two methyl groups located at positions 1 and 7. It is a metabolite of caffeine and theobromine in animals.
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; QUNWUDVFRNGTCO-UHFFFAOYSA-N_STSL_0243_Paraxanthine_1000fmol_190413_S2_LC02MS02_060; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
Paraxanthine, a caffeine metabolite, provides protection against Dopaminergic cell death via stimulation of Ryanodine Receptor Channels.
同义名列表
4 个代谢物同义名
1,7-Dimethylxanthine; paraxanthine; 1,7-Dimethylxanthine; Paraxanthine
数据库引用编号
51 个数据库交叉引用编号
- ChEBI: CHEBI:25858
- KEGG: C13747
- KEGGdrug: D94772
- PubChem: 4687
- ChEMBL: CHEMBL1158
- KNApSAcK: C00039930
- CAS: 611-59-6
- MoNA: CCMSLIB00005464250
- MoNA: CCMSLIB00005720382
- MoNA: MoNA038515
- MoNA: MoNA037812
- MoNA: MoNA037109
- MoNA: MoNA035919
- MoNA: MoNA035918
- MoNA: MoNA035916
- MoNA: MoNA033879
- MoNA: MoNA033878
- MoNA: MoNA033877
- MoNA: MoNA031971
- MoNA: MoNA031969
- MoNA: MoNA031966
- MoNA: MoNA024160
- MoNA: EMBL-MCF_spec109145
- MoNA: EMBL-MCF_spec36437
- MoNA: EMBL-MCF_spec36427
- MoNA: MoNA016777
- MoNA: MoNA010746
- MoNA: MoNA010745
- MoNA: MoNA010744
- MoNA: MoNA010743
- MoNA: MoNA010742
- MoNA: MoNA010741
- MoNA: CCMSLIB00004679242
- MoNA: MoNA001745
- MoNA: MoNA001743
- MoNA: MoNA001742
- MoNA: HMDB0001860_ms_ms_1737
- MoNA: HMDB0001860_ms_ms_1736
- MoNA: HMDB0001860_ms_ms_1735
- MoNA: PT210300
- MoNA: PT110300
- MoNA: CCMSLIB00000578170
- MoNA: CCMSLIB00000577936
- MetaboLights: MTBLC25858
- PubChem: 586336
- 3DMET: B04575
- NIKKAJI: J2.991B
- RefMet: Paraxanthine
- medchemexpress: HY-W016498
- BioNovoGene_Lab2019: BioNovoGene_Lab2019-121
- KNApSAcK: 25858
分类词条
相关代谢途径
Reactome(6)
BioCyc(2)
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)
4 个相关的物种来源信息
- 7461 - Apis cerana: 10.1371/JOURNAL.PONE.0175573
- 37334 - Citrus maxima: 10.1016/S0031-9422(99)00119-3
- 392618 - Cunila: 10.1007/S00299-018-2303-8
- 10090 - Mus musculus: 10.1152/JAPPL.2000.89.6.2312
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
- Gaëlle Magliocco, Jules Desmeules, Caroline Flora Samer, Aurélien Thomas, Youssef Daali. Evaluation of CYP1A2 activity: Relationship between the endogenous urinary 6-hydroxymelatonin to melatonin ratio and paraxanthine to caffeine ratio in dried blood spots.
Clinical and translational science.
2022 06; 15(6):1482-1491. doi:
10.1111/cts.13263
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Nutrients.
2022 Feb; 14(4):. doi:
10.3390/nu14040893
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The American journal of clinical nutrition.
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Journal of separation science.
2021 Dec; 44(23):4274-4283. doi:
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