GW 9544 (BioDeep_00000010794)
代谢物信息卡片
化学式: C31H30N2O5 (510.215461)
中文名称:
谱图信息:
最多检出来源 Mentha canadensis(plant) 95.24%
分子结构信息
SMILES: CC(=CC(=O)c1ccccc1)NC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O
InChI: InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,19,28,32H,17-18,20H2,1-2H3,(H,35,36)/b21-19-/t28-/m0/s1
数据库引用编号
12 个数据库交叉引用编号
- ChEBI: CHEBI:79990
- KEGG: C15623
- PubChem: 446642
- PubChem: 49823156
- Metlin: METLIN70982
- ChEMBL: CHEMBL410478
- CAS: 258345-41-4
- CAS: 335149-19-4
- PMhub: MS000024690
- PubChem: 17396613
- PDB-CCD: 544
- NIKKAJI: J1.762.220J
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)
0 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
- Juan Manuel Decara, Miguel Romero-Cuevas, Patricia Rivera, Manuel Macias-González, Margarita Vida, Francisco J Pavón, Antonia Serrano, Carolina Cano, Nieves Fresno, Ruth Pérez-Fernández, Fernando Rodríguez de Fonseca, Juan Suárez. Elaidyl-sulfamide, an oleoylethanolamide-modelled PPARα agonist, reduces body weight gain and plasma cholesterol in rats.
Disease models & mechanisms.
2012 Sep; 5(5):660-70. doi:
10.1242/dmm.009233
. [PMID: 22736460] - Ying Ma, Shu-Qing Wang, Wei-Ren Xu, Run-Ling Wang, Kuo-Chen Chou. Design novel dual agonists for treating type-2 diabetes by targeting peroxisome proliferator-activated receptors with core hopping approach.
PloS one.
2012; 7(6):e38546. doi:
10.1371/journal.pone.0038546
. [PMID: 22685582] - Xinbo Zhou, Wei Chen, Cheng Xu, Shiyong Fan, Yunde Xie, Wu Zhong, Lili Wang, Song Li. (S)-3-(4-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-(piperazin-1-yl) propanoic acid compounds: synthesis and biological evaluation of dual PPARalpha/gamma agonists.
Bioorganic & medicinal chemistry letters.
2010 Apr; 20(8):2605-8. doi:
10.1016/j.bmcl.2010.02.071
. [PMID: 20299214] - Tomohiko Nakagawa, Noriyuki Kurita, Shinsaku Kozakai, Shingo Iwabuchi, Yoko Yamaguchi, Masato Hayakawa, Yuki Ito, Toshifumi Aoyama, Tamie Nakajima. Molecular mechanics and molecular orbital simulations on specific interactions between peroxisome proliferator-activated receptor PPARalpha and plasticizer.
Journal of molecular graphics & modelling.
2008 Aug; 27(1):45-58. doi:
10.1016/j.jmgm.2008.02.003
. [PMID: 18394939] - H E Xu, M H Lambert, V G Montana, K D Plunket, L B Moore, J L Collins, J A Oplinger, S A Kliewer, R T Gampe, D D McKee, J T Moore, T M Willson. Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors.
Proceedings of the National Academy of Sciences of the United States of America.
2001 Nov; 98(24):13919-24. doi:
10.1073/pnas.241410198
. [PMID: 11698662] - H Kumazawa, N Imai, M Shioya, K Kato, Y Fukaya, A Noguchi. [Study on the concentration of FT-207 and 5-FU in serum, lymph nodes and tissues after administration of FT-207 suppositories].
Gan to kagaku ryoho. Cancer & chemotherapy.
1984 Aug; 11(8):1655-62. doi:
NULL
. [PMID: 6433799] - A Maekawa, T Takagi. An autopsy case of tuberous sclerosis.
Nagoya medical journal.
1970 Jul; 16(1):1-6. doi:
NULL
. [PMID: 5458428]