Monobenzyl phthalate (BioDeep_00000398407)
Industrial Pollutants
代谢物信息卡片
化学式: C15H12O4 (256.0736)
中文名称: 邻苯二甲酸单苄酯
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)O
InChI: InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
描述信息
A phthalic acid monoester resulting from the formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of benzyl alcohol. It is a major metabolite of the plasticiser butyl benzyl phthalate (BBP).
CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4406; ORIGINAL_PRECURSOR_SCAN_NO 4401
CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4408; ORIGINAL_PRECURSOR_SCAN_NO 4407
CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4373; ORIGINAL_PRECURSOR_SCAN_NO 4371
CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4400; ORIGINAL_PRECURSOR_SCAN_NO 4398
CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4390; ORIGINAL_PRECURSOR_SCAN_NO 4386
CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4386; ORIGINAL_PRECURSOR_SCAN_NO 4385
CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8673; ORIGINAL_PRECURSOR_SCAN_NO 8669
CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8702; ORIGINAL_PRECURSOR_SCAN_NO 8699
CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8754; ORIGINAL_PRECURSOR_SCAN_NO 8751
CONFIDENCE standard compound; INTERNAL_ID 729; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8770; ORIGINAL_PRECURSOR_SCAN_NO 8765
CONFIDENCE standard compound; INTERNAL_ID 8231
CONFIDENCE standard compound; INTERNAL_ID 4204
同义名列表
2 个代谢物同义名
数据库引用编号
26 个数据库交叉引用编号
- ChEBI: CHEBI:132612
- PubChem: 31736
- ChEMBL: CHEMBL1466083
- CAS: 2528-16-7
- MoNA: LU072956
- MoNA: LU072955
- MoNA: LU072954
- MoNA: LU072953
- MoNA: LU072952
- MoNA: LU072951
- MoNA: LU072906
- MoNA: LU072905
- MoNA: LU072903
- MoNA: LU072901
- MoNA: SM823154
- MoNA: SM823104
- MoNA: UF420454
- MoNA: UF420453
- MoNA: UF420452
- MoNA: UF420451
- MoNA: UF420404
- MoNA: UF420403
- MoNA: UF420402
- MoNA: UF420401
- MetaboLights: MTBLC132612
- RefMet: Monobenzyl phthalate
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。
亚细胞结构定位 | 关联基因列表 |
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文献列表
- Qingqing Zhu, Jian Hou, Wenjun Yin, Fang Ye, Tian Xu, Juan Cheng, Zhiqiang Yu, Lin Wang, Jing Yuan. Associations of a mixture of urinary phthalate metabolites with blood lipid traits: A repeated-measures pilot study.
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Archives of environmental contamination and toxicology.
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Toxicology letters.
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International journal of hygiene and environmental health.
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PloS one.
2015; 10(6):e0123884. doi:
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Reproductive toxicology (Elmsford, N.Y.).
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Environment international.
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2010 Jul; 118(7):1039-46. doi:
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2010 Apr; 118(4):539-44. doi:
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2010 Feb; 118(2):291-6. doi:
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Environmental health perspectives.
2009 Oct; 117(10):1587-92. doi:
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2009 Apr; 117(4):639-44. doi:
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2009 Jan; 117(1):86-92. doi:
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2008 Aug; 116(8):1092-7. doi:
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Environmental health : a global access science source.
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Environmental health perspectives.
2008 Apr; 116(4):467-73. doi:
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Environmental health perspectives.
2008 Mar; 116(3):334-9. doi:
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Environmental health perspectives.
2007 Jul; 115(7):1029-34. doi:
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2007 Jun; 115(6):876-82. doi:
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International journal of hygiene and environmental health.
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2006 Nov; 114(11):1783-9. doi:
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2006 Sep; 114(9):1424-31. doi:
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Archives of toxicology.
2005 Nov; 79(11):647-52. doi:
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2005 Nov; 113(11):1530-5. doi:
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2005 Sep; 113(9):1222-5. doi:
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2005 Aug; 113(8):1056-61. doi:
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2005 Apr; 113(4):425-30. doi:
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2004 May; 112(6):751-3. doi:
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2004 Mar; 112(3):331-8. doi:
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2003 Nov; 111(14):1719-22. doi:
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