3-Methylxanthine (BioDeep_00000001242)
Secondary id: BioDeep_00000400355
natural product human metabolite PANOMIX_OTCML-2023 Endogenous blood metabolite BioNovoGene_Lab2019
代谢物信息卡片
3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
化学式: C6H6N4O2 (166.0491)
中文名称: 3-甲基黄嘌呤
谱图信息:
最多检出来源 Homo sapiens(plant) 18.77%
Reviewed
Last reviewed on 2024-07-02.
Cite this Page
3-Methylxanthine. BioDeep Database v3. PANOMIX ltd, a top metabolomics service provider from China.
https://query.biodeep.cn/s/3-methylxanthine (retrieved
2024-12-23) (BioDeep RN: BioDeep_00000001242). Licensed
under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
分子结构信息
SMILES: c1(=O)[nH]c(=O)c2c(n1C)nc[nH]2
InChI: InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
描述信息
3-methyl-9H-xanthine is a 3-methylxanthine tautomer where the imidazole proton is located at the 9-position. It has a role as a metabolite. It is a tautomer of a 3-methyl-7H-xanthine. 3-Methylxanthine, also known as 3 MX or purine analog, belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
3-Methylxanthine is a caffeine and a theophylline metabolite. (PMID 16870158, 16678550)
3-Methylxanthine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=1076-22-8 (retrieved 2024-07-02) (CAS RN: 1076-22-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
3-Methylxanthine, a xanthine derivative, is a cyclic guanosine monophosphate (GMP) inhibitor, with an IC50 of 920 μM on guinea-pig isolated trachealis muscle.
3-Methylxanthine, a xanthine derivative, is a cyclic guanosine monophosphate (GMP) inhibitor, with an IC50 of 920 μM on guinea-pig isolated trachealis muscle.
同义名列表
16 个代谢物同义名
3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 3-Methyl-3,9-dihydro-2H,6H-purine-2,6-dione; 3-Methyl-3,7(9)-dihydro-purine-2,6-dione; 3,9-Dihydro-3-methyl-1H-purine-2,6-dione; 3-Methylxanthine, methyl-(13)C-labeled; 3-Methyl-3,9-dihydro-purine-2,6-dione; 3-Methylxanthine, monopotassium salt; 3-Methylxanthine, monosodium salt; 2,6-Dihydroxy-3-methylpurine; 2-oxo-3-Methylhypoxanthine; 3-Methyl xanthine; 3-Methylxanthine; Purine analog; 3 MX; 3-Methylxanthine; 3-Methylxanthine
数据库引用编号
29 个数据库交叉引用编号
- ChEBI: CHEBI:62207
- ChEBI: CHEBI:62208
- KEGG: C16357
- PubChem: 70639
- HMDB: HMDB0001886
- Metlin: METLIN2820
- ChEMBL: CHEMBL619
- Wikipedia: Xanthine
- MetaCyc: 3-METHYLXANTHINE
- MetaCyc: RXN-11546
- KNApSAcK: C00043196
- foodb: FDB022724
- chemspider: 63805
- CAS: 1076-22-8
- MoNA: PS103105
- MoNA: PS103103
- MoNA: PS103101
- MoNA: PS103102
- MoNA: PR100415
- MoNA: PR100871
- PMhub: MS000000193
- NIKKAJI: J3.360J
- RefMet: 3-Methylxanthine
- medchemexpress: HY-50723
- BioNovoGene_Lab2019: BioNovoGene_Lab2019-817
- PubChem: 47205665
- KNApSAcK: 62207
- LOTUS: LTS0091495
- wikidata: Q27888118
分类词条
相关代谢途径
Reactome(0)
BioCyc(3)
PlantCyc(0)
代谢反应
4 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(3)
- theophylline degradation:
theophylline ⟶ 1,3-dimethylurate - caffeine degradation I (main, plants):
a demethylated methyl donor + theophylline ⟶ 3-methylxanthine + a methylated methyl donor - theobromine biosynthesis II (via xanthine):
3-methylxanthine + SAM ⟶ H+ + SAH + theobromine
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(1)
- caffeine degradation I (main, plants):
3-methylxanthine + H+ + NAD(P)H + O2 ⟶ H2O + NAD(P)+ + formaldehyde + xanthine
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
5 个相关的物种来源信息
- 7461 - Apis cerana: 10.1371/JOURNAL.PONE.0175573
- 3702 - Arabidopsis thaliana: 10.1111/TPJ.14594
- 9606 - Homo sapiens: -
- 581062 - Symplegma rubra: 10.1021/NP990211L
- 569774 - 金线莲: -
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
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2020 Mar; 19(1):72. doi:
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2018 06; 18(1):53. doi:
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