Pirinixic acid (BioDeep_00000002328)
human metabolite blood metabolite
代谢物信息卡片
化学式: C14H14ClN3O2S (323.0495214)
中文名称: [4-氯-6-(2,3-茬胺基)-2-嘧啶硫代]乙酸
谱图信息:
最多检出来源 Homo sapiens(blood) 50%
分子结构信息
SMILES: CC1=C(C)C(NC2=CC(Cl)=NC(SCC(O)=O)=N2)=CC=C1
InChI: InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
描述信息
2-methylthioribosyl-trans-zeatin, also known as wy-14,643 or cxpta, is a member of the class of compounds known as aryl thioethers. Aryl thioethers are organosulfur compounds containing a thioether group that is substituted by an aryl group. 2-methylthioribosyl-trans-zeatin is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-methylthioribosyl-trans-zeatin can be found in common pea and common wheat, which makes 2-methylthioribosyl-trans-zeatin a potential biomarker for the consumption of these food products.
CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9387; ORIGINAL_PRECURSOR_SCAN_NO 9382
CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9350; ORIGINAL_PRECURSOR_SCAN_NO 9349
CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4901; ORIGINAL_PRECURSOR_SCAN_NO 4897
CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4896; ORIGINAL_PRECURSOR_SCAN_NO 4894
CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9397; ORIGINAL_PRECURSOR_SCAN_NO 9396
CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4984; ORIGINAL_PRECURSOR_SCAN_NO 4982
CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9362; ORIGINAL_PRECURSOR_SCAN_NO 9360
CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9288; ORIGINAL_PRECURSOR_SCAN_NO 9287
CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4364; ORIGINAL_PRECURSOR_SCAN_NO 4363
CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9321; ORIGINAL_PRECURSOR_SCAN_NO 9318
CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4386; ORIGINAL_PRECURSOR_SCAN_NO 4382
CONFIDENCE standard compound; INTERNAL_ID 293; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4906; ORIGINAL_PRECURSOR_SCAN_NO 4904
Pirinixic acid (Wy-14643) is a potent agonist of PPARα, with EC50s of 0.63 μM, 32 μM for murine PPARα and PPARγ, and 5.0 μM, 60 μM, 35 μM for human PPARα, PPARγ and PPARδ, respectively.
同义名列表
17 个代谢物同义名
2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid; ((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid; ((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetate; 4-Chloro-6-(2,3-dimethylphenyl)amino-2-pyrimidinylthioacetic acid; (4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid; 4-Chloro-6-(2,3-xylidinyl)-2-pyrimidinylthioacetic acid; (4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetate; 2-Methylthioribosyl-trans-zeatin; Pirinixic acid; Wyeth 14,643; Wyeth-14643; Pirinixate; WY-14,643; CXPTA; [[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-acetic acid; Wy-14643; Wy 14643
数据库引用编号
27 个数据库交叉引用编号
- KEGG: C15617
- PubChem: 5694
- HMDB: HMDB0256601
- Metlin: METLIN43447
- Wikipedia: Pirinixic_Acid
- foodb: FDB001402
- chemspider: 5492
- CAS: 53274-45-6
- CAS: 50892-23-4
- MoNA: LU029306
- MoNA: LU029301
- MoNA: LU029356
- MoNA: LU029351
- MoNA: LU029304
- MoNA: LU029352
- MoNA: LU029302
- MoNA: LU029303
- MoNA: LU029355
- MoNA: LU029305
- MoNA: LU029353
- MoNA: LU029354
- PMhub: MS000002355
- ChEBI: CHEBI:32509
- PubChem: 17396608
- PDB-CCD: WY1
- NIKKAJI: J10.256C
- medchemexpress: HY-16995
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。
文献列表
- G De Soricellis, F Rinaldi, S Tengattini, C Temporini, S Negri, D Capelli, R Montanari, H Cena, S Salerno, G Massolini, F Guzzo, E Calleri. Development of an analytical platform for the affinity screening of natural extracts by SEC-MS towards PPARα and PPARγ receptors.
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Lipids in health and disease.
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