Diethylene glycol dibenzoate (BioDeep_00000275355)

Industrial Pollutants Volatile Flavor Compounds

代谢物信息卡片

Oxydi-2,1-ethanediyl dibenzoate

化学式: C18H18O5 (314.1154178)
中文名称: 二苯甲酸二甘醇酯, 二甘醇二苯甲酸酯
谱图信息: 最多检出来源 Viridiplantae(plant) 66.67%

分子结构信息

SMILES: C1=CC=C(C=C1)C(=O)OCCOCCOC(=O)C2=CC=CC=C2
InChI: InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2

描述信息

CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9416; ORIGINAL_PRECURSOR_SCAN_NO 9413
DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_ACQUISITION_NO 9421; ORIGINAL_PRECURSOR_SCAN_NO 9419
CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9421; ORIGINAL_PRECURSOR_SCAN_NO 9419
CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9460; ORIGINAL_PRECURSOR_SCAN_NO 9458
CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9495; ORIGINAL_PRECURSOR_SCAN_NO 9492
CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9512; ORIGINAL_PRECURSOR_SCAN_NO 9507

同义名列表

4 个代谢物同义名

Oxydi-2,1-ethanediyl dibenzoate; Diethylene glycol dibenzoate; DEGDB; Diethylene glycol dibenzoate

数据库引用编号

9 个数据库交叉引用编号

PubChem: 8437
ChEMBL: CHEMBL2130591
CAS: 120-55-8
MoNA: LU078506
MoNA: LU078505
MoNA: LU078504
MoNA: LU078503
MoNA: LU078502
PMhub: MS000007577

分类词条

酯类

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

Stefania Santangeli, Valentina Notarstefano, Francesca Maradonna, Elisabetta Giorgini, Giorgia Gioacchini, Isabel Forner-Piquer, Hamid R Habibi, Oliana Carnevali. Effects of diethylene glycol dibenzoate and Bisphenol A on the lipid metabolism of Danio rerio. The Science of the total environment. 2018 Sep; 636(?):641-655. doi: 10.1016/j.scitotenv.2018.04.291. [PMID: 29723837]
Valentina Pomatto, Erika Cottone, Paolo Cocci, Matteo Mozzicafreddo, Gilberto Mosconi, Erik Russel Nelson, Francesco Alessandro Palermo, Patrizia Bovolin. Plasticizers used in food-contact materials affect adipogenesis in 3T3-L1 cells. The Journal of steroid biochemistry and molecular biology. 2018 04; 178(?):322-332. doi: 10.1016/j.jsbmb.2018.01.014. [PMID: 29410257]
Paolo Cocci, Matteo Mozzicafreddo, Mauro Angeletti, Gilberto Mosconi, Francesco Alessandro Palermo. Differential tissue regulation of peroxisome proliferator-activated receptor α (PPARα) and cannabinoid receptor 1 (CB1) gene transcription pathways by diethylene glycol dibenzoate (DEGB): preliminary observations in a seabream (Sparus aurata) in vivo model. Environmental toxicology and pharmacology. 2017 Oct; 55(?):87-93. doi: 10.1016/j.etap.2017.08.015. [PMID: 28843100]
Y E Romero. Effects of p,p'-DDE on male reproductive organs in peripubertal Wistar rats following a single intraperitoneal injection. Fukuoka igaku zasshi = Hukuoka acta medica. 1998 Feb; 89(2):64-77. doi: NULL. [PMID: 9549179]
M Cîrstea, G Suhaciu, M Cîrje, L Ciontescu. Immunological mechanisms in aspirin hypersensitivity. Studies on the immunogenicity of free aspirin. Acta allergologica. 1976 Oct; 31(5):341-55. doi: 10.1111/j.1398-9995.1976.tb01694.x. [PMID: 10712]