Simmondsin (BioDeep_00000614701)

natural product

代谢物信息卡片

Acetonitrile, ((2S,3R,4S,6R)-6-(beta-D-glucopyranosyloxy)-2-hydroxy-3,4-dimethoxycyclohexylidene)-, (2Z)-

化学式: C16H25NO9 (375.152924)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: COC1CC(C(=CC#N)C(C1OC)O)OC2C(C(C(C(O2)CO)O)O)O
InChI: InChI=1S/C16H25NO9/c1-23-9-5-8(7(3-4-17)11(19)15(9)24-2)25-16-14(22)13(21)12(20)10(6-18)26-16/h3,8-16,18-22H,5-6H2,1-2H3/b7-3+/t8-,9+,10-,11+,12-,13+,14-,15+,16-/m1/s1

描述信息

同义名列表

2 个代谢物同义名

Acetonitrile, ((2S,3R,4S,6R)-6-(beta-D-glucopyranosyloxy)-2-hydroxy-3,4-dimethoxycyclohexylidene)-, (2Z)-; Simmondsin

数据库引用编号

5 个数据库交叉引用编号

ChEBI: CHEBI:167987
PubChem: 6437384
Metlin: METLIN85006
CAS: 51771-52-9
LOTUS: LTS0074497

分类词条

Other

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)

7 个相关的物种来源信息

48522 - Ehretia: LTS0074497
2811221 - Ehretia philippinensis: LTS0074497
1561073 - Ehretiaceae: LTS0074497
2759 - Eukaryota: LTS0074497
3398 - Magnoliopsida: LTS0074497
35493 - Streptophyta: LTS0074497
58023 - Tracheophyta: LTS0074497

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

Firas Feki, Daniela Klisurova, Mohamed Ali Masmoudi, Sirine Choura, Petko Denev, Antoaneta Trendafilova, Mohamed Chamkha, Sami Sayadi. Optimization of microwave assisted extraction of simmondsins and polyphenols from Jojoba (Simmondsia chinensis) seed cake using Box-Behnken statistical design. Food chemistry. 2021 Sep; 356(?):129670. doi: 10.1016/j.foodchem.2021.129670. [PMID: 33812189]
Sahla Belhadj, Olfa Hentati, Ghaith Hamdaoui, Khaskhoussi Fakhreddine, Elisa Maillard, Stéphanie Dal, Séverine Sigrist. Beneficial Effect of Jojoba Seed Extracts on Hyperglycemia-Induced Oxidative Stress in RINm5f Beta Cells. Nutrients. 2018 Mar; 10(3):. doi: 10.3390/nu10030384. [PMID: 29558444]
C N Boozer, A J Herron. Simmondsin for weight loss in rats. International journal of obesity (2005). 2006 Jul; 30(7):1143-8. doi: 10.1038/sj.ijo.0803251. [PMID: 16462820]
G Flo, S Vermaut, V M Darras, M Van Boven, E Decuypere, E R Kühn, P Daenens, M Cokelaere. Effects of simmondsin on food intake, growth, and metabolic variables in lean (+/?) and obese (fa/fa) Zucker rats. The British journal of nutrition. 1999 Feb; 81(2):159-67. doi: 10.1017/s0007114599000306. [PMID: 10450335]
A J Hawthorne, R F Butterwick. The satiating effect of a diet containing jojoba meal (Simmondsia chinensis) in dogs. The Journal of nutrition. 1998 12; 128(12 Suppl):2669S-2670S. doi: 10.1093/jn/128.12.2669s. [PMID: 9868235]
M Cokelaere, P Daenens, E Decuypere, G Flo, E Kühn, M Van Boven, S Vermaut. Reproductive performance of rats treated with defatted jojoba meal or simmondsin before or during gestation. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 1998 Jan; 36(1):13-9. doi: 10.1016/s0278-6915(97)00118-x. [PMID: 9487360]
M Cokelaere, P Daenens, M Van Boven, E R Kühn, E Decuypere, V Darras. Influence of long-term simmondsin administration on thyroid hormone levels in adult rats. Hormone and metabolic research = Hormon- und Stoffwechselforschung = Hormones et metabolisme. 1995 Jul; 27(7):318-21. doi: 10.1055/s-2007-979969. [PMID: 7590614]
M Van Boven, P Daenens, M Cokelaere, E Decuypere. Extraction and liquid chromatographic method for the determination of simmondsin in plasma. Journal of chromatography. B, Biomedical applications. 1994 May; 655(2):281-5. doi: 10.1016/0378-4347(94)00121-9. [PMID: 8081475]