Oxypurinol (BioDeep_00000003006)
Secondary id: BioDeep_00000400350
natural product human metabolite PANOMIX_OTCML-2023 Endogenous blood metabolite
代谢物信息卡片
化学式: C5H4N4O2 (152.0334244)
中文名称: 1H-吡唑并[3,4-d]嘧啶-4,6(2H,5H)-二酮, 奥昔嘌醇, 羟基嘌呤
谱图信息:
最多检出来源 Homo sapiens(blood) 1.15%
分子结构信息
SMILES: C1=C2C(=NC(=O)NC2=O)NN1
InChI: InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
描述信息
Oxipurinol is a xanthine oxidase inhibitor. Oxipurinol is potentially used for treatment of congestive heart failure. PMID: 15139781.
Oxipurinol is a xanthine oxidase inhibitor. Oxipurinol is potentially used for treatment of congestive heart failure.
C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor
D004791 - Enzyme Inhibitors
CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 855; ORIGINAL_PRECURSOR_SCAN_NO 853
CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 883; ORIGINAL_PRECURSOR_SCAN_NO 881
CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 893; ORIGINAL_PRECURSOR_SCAN_NO 892
CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 861; ORIGINAL_PRECURSOR_SCAN_NO 860
CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 894; ORIGINAL_PRECURSOR_SCAN_NO 892
Acquisition and generation of the data is financially supported in part by CREST/JST.
Oxipurinol (Oxipurinol), the major active metabolite of Allopurinol, is an inhibitor of xanthine oxidase. Oxipurinol can be used to regulate blood urate levels and treat gout[1].
同义名列表
10 个代谢物同义名
1H,2H,4H,5H,6H-pyrazolo[3,4-d]pyrimidine-4,6-dione; 1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione; 4,6-Dihydroxypyrazolo[3,4-D]pyrimidine; 1H-Pyrazolo[3,4-D]pyrimidin-4,6-diol; 1H,3H,9H-Alloxanthine; Oxoallopurinol; Alloxanthine; Oxipurinol; Oxypurinol; 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione
数据库引用编号
36 个数据库交叉引用编号
- ChEBI: CHEBI:28315
- KEGG: C07599
- KEGGdrug: D02365
- PubChem: 135398752
- PubChem: 4644
- HMDB: HMDB0000786
- Metlin: METLIN866
- DrugBank: DB05262
- ChEMBL: CHEMBL859
- Wikipedia: Oxypurinol
- MeSH: Oxypurinol
- KNApSAcK: C00052376
- foodb: FDB022242
- chemspider: 4483
- CAS: 187486-06-2
- CAS: 184764-63-4
- CAS: 187486-05-1
- CAS: 2465-59-0
- MoNA: PS101008
- MoNA: LU086452
- MoNA: PS101002
- MoNA: LU086455
- MoNA: PR100403
- MoNA: PS101007
- MoNA: LU086451
- MoNA: LU086454
- MoNA: LU086456
- MoNA: LU086453
- MoNA: PS101001
- MoNA: PR100860
- PMhub: MS000007690
- PubChem: 9801
- PDB-CCD: 141
- NIKKAJI: J9.510I
- RefMet: Oxypurinol
- medchemexpress: HY-19657
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)
21 个相关的物种来源信息
- 100776 - Aequipecten opercularis: 10.1016/S0021-9673(00)94508-4
- 7461 - Apis cerana: 10.1371/JOURNAL.PONE.0175573
- 322837 - Aplidium pliciferum:
- 107392 - Ascidia zara: 10.1016/0305-0491(85)90174-9
- 7602 - Asterias amurensis: 10.1016/0305-0491(89)90054-0
- 30301 - Botryllus schlosseri: 10.1016/0305-0491(85)90174-9
- 270562 - Branchiostegus japonicus: 10.2331/FISHSCI.64.464
- 7719 - Ciona intestinalis: 10.1016/0305-0491(85)90174-9
- 70450 - Cryptomonas ovata: 10.1016/S0031-9422(00)86131-2
- 1336858 - Gelliodes callista: 10.2331/SUISAN.53.1271
- 7729 - Halocynthia roretzi:
- 77927 - Hemiselmis virescens: 10.1016/S0031-9422(00)86131-2
- 9606 - Homo sapiens: -
- 42192 - Mytilus coruscus: 10.1021/NP970039Q
- 2602926 - Mytilus unguiculatus: 10.1021/NP970039Q
- 7594 - Patiria pectinifera: 10.1016/0305-0491(89)90054-0
- 100774 - Pecten jacobaeus: 10.1016/S0021-9673(00)94508-4
- 933223 - Rhinogobius brunneus: 10.1021/NP990580H
- 37096 - Rhodomonas: 10.1016/S0031-9422(00)86131-2
- 7725 - Styela clava: 10.1016/0305-0491(85)90174-9
- 7726 - Styela plicata: 10.1016/0305-0491(85)90174-9
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
- Bianca Vora, Deanna J Brackman, Ling Zou, Maria Garcia-Cremades, Marina Sirota, Radojka M Savic, Kathleen M Giacomini. Oxypurinol pharmacokinetics and pharmacodynamics in healthy volunteers: Influence of BCRP Q141K polymorphism and patient characteristics.
Clinical and translational science.
2021 07; 14(4):1431-1443. doi:
10.1111/cts.12992
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Best practice & research. Clinical rheumatology.
2020 08; 34(4):101501. doi:
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Journal of pharmaceutical and biomedical analysis.
2020 Jun; 185(?):113204. doi:
10.1016/j.jpba.2020.113204
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Current pharmaceutical design.
2020; 26(35):4515-4521. doi:
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Clinical and translational science.
2020 01; 13(1):110-115. doi:
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Biochemical pharmacology.
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European journal of clinical pharmacology.
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International journal of cancer.
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2012 Sep; 51(9):1670-6. doi:
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British journal of clinical pharmacology.
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Hormone and metabolic research = Hormon- und Stoffwechselforschung = Hormones et metabolisme.
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