Dipropylphthalate (BioDeep_00000002356)
Industrial Pollutants
代谢物信息卡片
化学式: C14H18O4 (250.1205)
中文名称: 邻苯二甲酸二丙酯, 邻苯二甲酸二正丙酯
谱图信息:
最多检出来源 Viridiplantae(plant) 20.3%
分子结构信息
SMILES: CCCOC(=O)C1=C(C=CC=C1)C(=O)OCCC
InChI: InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
描述信息
CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9488; ORIGINAL_PRECURSOR_SCAN_NO 9483
CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4235; ORIGINAL_PRECURSOR_SCAN_NO 4230
CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4278; ORIGINAL_PRECURSOR_SCAN_NO 4277
CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4579; ORIGINAL_PRECURSOR_SCAN_NO 4575
CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9470; ORIGINAL_PRECURSOR_SCAN_NO 9468
CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4253; ORIGINAL_PRECURSOR_SCAN_NO 4251
CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4271; ORIGINAL_PRECURSOR_SCAN_NO 4270
CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9411; ORIGINAL_PRECURSOR_SCAN_NO 9407
CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4287; ORIGINAL_PRECURSOR_SCAN_NO 4286
CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9460; ORIGINAL_PRECURSOR_SCAN_NO 9457
CONFIDENCE standard compound; INTERNAL_ID 1293; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9433; ORIGINAL_PRECURSOR_SCAN_NO 9428
CONFIDENCE standard compound; INTERNAL_ID 197
同义名列表
数据库引用编号
24 个数据库交叉引用编号
- ChEBI: CHEBI:60069
- KEGG: C14469
- PubChem: 8559
- Metlin: METLIN70086
- ChEMBL: CHEMBL1483029
- CAS: 131-16-8
- MoNA: LU129354
- MoNA: LU129302
- MoNA: LU129356
- MoNA: RP019701
- MoNA: RP019702
- MoNA: LU129301
- MoNA: LU129352
- MoNA: LU129303
- MoNA: LU129351
- MoNA: LU129304
- MoNA: LU129355
- MoNA: LU129305
- MoNA: RP019703
- MoNA: LU129353
- PMhub: MS000002415
- PubChem: 17395469
- NIKKAJI: J46.704I
- KNApSAcK: 60069
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
- 105886 - Eleutherococcus sessiliflorus: 10.1007/BF00576204
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
- Binghai Zhao, Yanhui Chu, Yadong Huang, Dianne O Hardy, Shaoqiang Lin, Ren-Shan Ge. Structure-dependent inhibition of human and rat 11beta-hydroxysteroid dehydrogenase 2 activities by phthalates.
Chemico-biological interactions.
2010 Jan; 183(1):79-84. doi:
10.1016/j.cbi.2009.09.014. [PMID: 19786001] - K R Kumar, G Archunan, R Jeyaraman, S Narasimhan. Chemical characterization of bovine urine with special reference to oestrus.
Veterinary research communications.
2000 Nov; 24(7):445-54. doi:
10.1023/a:1006495404407. [PMID: 11085464] - NULL. Reproductive toxicology. Di-n-propylphthalate.
Environmental health perspectives.
1997 Feb; 105 Suppl 1(?):257-8. doi:
NULL. [PMID: 9114313]
