Rebaudioside E (BioDeep_00000396830)

 

Secondary id: BioDeep_00000018604

PANOMIX_OTCML-2023


代谢物信息卡片


4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 13-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate

化学式: C44H70O23 (966.4307670000001)
中文名称: 甜菊双糖苷 E, 瑞鲍迪甙E
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 86.67%

分子结构信息

SMILES: C(O)C(C1O)OC(OC(C8O)C(OC(CO)C(O)8)OC(C2)(C3)C(CC2(C4)C(C(C5)(C(C(C(OC(C(OC(C7O)OC(C(C(O)7)O)CO)6)OC(CO)C(C6O)O)=O)(CC5)C)(C4)[H])C)([H])C3)=C)C(C1O)O
InChI: InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-34(30(55)26(51)20(14-47)62-38)64-36-32(57)28(53)24(49)18(12-45)60-36)23(43)6-10-44(17,16-43)67-39-35(31(56)27(52)21(15-48)63-39)65-37-33(58)29(54)25(50)19(13-46)61-37/h18-39,45-58H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37+,38+,39+,41-,42-,43-,44+/m1/s1

描述信息

Rebaudioside E is a rebaudioside that is stevioside in which the hydroxy group at position 2 of the glucosyl ester moiety has been converted into the corresponding beta-D-glucoside. It is a tetracyclic diterpenoid, a rebaudioside and a sophoroside. It is functionally related to a stevioside.
Rebaudioside E is a natural product found in Stevia rebaudiana with data available.
See also: Stevia rebaudiuna Leaf (part of).
A rebaudioside that is stevioside in which the hydroxy group at position 2 of the glucosyl ester moiety has been converted into the corresponding beta-D-glucoside.
[Chemical] Source; leaves of Stevia rebaudiana Morita and Stevia rebaudiana Bertoni

同义名列表

10 个代谢物同义名

2-O-beta-D-glucopyranosyl-1-O-(((4R,4aS,6aR,9S,11aR,11bS)-9-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta(a)naphthalen-4-yl)carbonyl)-beta-D-glucopyranose; 2-O-beta-D-glucopyranosyl-1-O-({(4R,4aS,6aR,9S,11aR,11bS)-9-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-4-yl}carbonyl)-beta-D-glucopyranose; KAUR-16-EN-18-OIC ACID, 13-((2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, 2-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL ESTER, (4.ALPHA.)-; KAUR-16-EN-18-oic acid, 13-((2-o-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-, 2-o-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (4alpha)-; (4R)-13-[[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy]kaur-16-en-18-oic acid 2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl ester; RLLCWNUIHGPAJY-SFUUMPFESA-N; Rebaudioside E [MI]; (-)-Rebaudioside E; Rebaudioside E; 4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 13-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate



数据库引用编号

12 个数据库交叉引用编号

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

  • Adam Yasgar, Danielle Bougie, Richard T Eastman, Ruili Huang, Misha Itkin, Jennifer Kouznetsova, Caitlin Lynch, Crystal McKnight, Mitch Miller, Deborah K Ngan, Tyler Peryea, Pranav Shah, Paul Shinn, Menghang Xia, Xin Xu, Alexey V Zakharov, Anton Simeonov. Quantitative Bioactivity Signatures of Dietary Supplements and Natural Products. ACS pharmacology & translational science. 2023 May; 6(5):683-701. doi: 10.1021/acsptsci.2c00194. [PMID: 37200814]
  • Liangliang Chen, Huayi Pan, Ruxin Cai, Yan Li, Honghua Jia, Kequan Chen, Ming Yan, Pingkai Ouyang. Bioconversion of Stevioside to Rebaudioside E Using Glycosyltransferase UGTSL2. Applied biochemistry and biotechnology. 2021 Mar; 193(3):637-649. doi: 10.1007/s12010-020-03439-y. [PMID: 33057971]
  • Sidd Purkayastha, Sachin Bhusari, George Pugh, Xiaowei Teng, David Kwok, Stanley M Tarka. In vitro metabolism of rebaudioside E under anaerobic conditions: Comparison with rebaudioside A. Regulatory toxicology and pharmacology : RTP. 2015 Aug; 72(3):646-57. doi: 10.1016/j.yrtph.2015.05.019. [PMID: 26003514]