Isobutyl 4-hydroxybenzoate (BioDeep_00000000266)

 

Secondary id: BioDeep_00001867481

human metabolite blood metabolite


代谢物信息卡片


2-Methylpropyl 4-Hydroxybenzoate; Butyl Parahydroxybenzoate Imp. E (EP); Isobutyl Parahydroxybenzoate; Butyl Parahydroxybenzoate Impurity E

化学式: C11H14O3 (194.0942894)
中文名称: 尼泊金异丁酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 0.56%

分子结构信息

SMILES: CC(C)COC(=O)C1=CC=C(C=C1)O
InChI: InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3

描述信息

D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
Isobutylparaben is a 4-hydroxybenzoate ester.

同义名列表

39 个代谢物同义名

2-Methylpropyl 4-Hydroxybenzoate; Butyl Parahydroxybenzoate Imp. E (EP); Isobutyl Parahydroxybenzoate; Butyl Parahydroxybenzoate Impurity E; Butyl parahydroxybenzoate impurity E, European Pharmacopoeia (EP) Reference Standard; 4-Hydroxybenzoic acid-isobutyl ester 1000 microg/mL in Acetonitrile; 2-Methylpropyl 4-Hydroxybenzoate (Isobutyl Parahydroxybenzoate); Benzoic acid, 4-hydroxy-, 2-methylpropyl ester; 3-10-00-00308 (Beilstein Handbook Reference); 4-Hydroxybenzoic acid, 2-methylpropyl ester; BENZOIC ACID, p-HYDROXY-, ISOBUTYL ESTER; p-Oxybenzoesaureisobutylester [German]; p-Hydroxybenzoic acid sec-butyl ester; 4-hydroxybenzoic acid iso-butyl ester; p-Hydroxybenzoic acid iso-butyl ester; p-Hydroxybenzoic acid isobutyl ester; Butyl parahydroxybenzoate impurity E; 2-Methylpropyl 4-hydroxybenzoic acid; 4-Hydroxybenzoic Acid Isobutyl Ester; 4-Hydroxybenzoic acid-isobutyl ester; 2-Methylpropyl 4-hydroxybenzoate; Isobutyl parahydroxybenzoic acid; Isobutyl 4-hydroxybenzoate, 97\\%; Methylpropyl p-hydroxybenzoate; Isobutyl 4-hydroxybenzoic acid; ISOBUTYL PARA HYDROXY BENZOATE; p-Oxybenzoesaureisobutylester; Isobutyl parahydroxybenzoate; Isobutyl-4-hydroxy benzoate; Isobutyl 4-hydroxybenzoate; isobutyl-p-hydroxybenzoate; isobutyl-4-hydroxybenzoate; Isobutyl p-hydroxybenzoate; ISOBUTYLPARABEN [INCI]; isobutyl paraben; Isobutylparaben; UNII-0QQJ25X58G; ChemDiv2_000057; Tox21_200501; 0QQJ25X58G; Isobutyl; i-BHB



数据库引用编号

10 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)

1 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

  • Lynda Bouarab, Pascal Degraeve, Jalloul Bouajila, Amandine Cottaz, Fouzia Jbilou, Catherine Joly, Nadia Oulahal. Staphylococcus aureus membrane-damaging activities of four phenolics. FEMS microbiology letters. 2021 07; 368(13):. doi: 10.1093/femsle/fnab081. [PMID: 34173656]
  • Thomas L Gonzalez, Rebecca K Moos, Christina L Gersch, Michael D Johnson, Rudy J Richardson, Holger M Koch, James M Rae. Metabolites of n-Butylparaben and iso-Butylparaben Exhibit Estrogenic Properties in MCF-7 and T47D Human Breast Cancer Cell Lines. Toxicological sciences : an official journal of the Society of Toxicology. 2018 07; 164(1):50-59. doi: 10.1093/toxsci/kfy063. [PMID: 29945225]
  • John D Meeker, Tiffany Yang, Xiaoyun Ye, Antonia M Calafat, Russ Hauser. Urinary concentrations of parabens and serum hormone levels, semen quality parameters, and sperm DNA damage. Environmental health perspectives. 2011 Feb; 119(2):252-7. doi: 10.1289/ehp.1002238. [PMID: 20876036]
  • Antonia M Calafat, Xiaoyun Ye, Lee-Yang Wong, Amber M Bishop, Larry L Needham. Urinary concentrations of four parabens in the U.S. population: NHANES 2005-2006. Environmental health perspectives. 2010 May; 118(5):679-85. doi: 10.1289/ehp.0901560. [PMID: 20056562]
  • Maiko Kawaguchi, Kaori Morohoshi, Junya Masuda, Gen Watanabe, Masatoshi Morita, Hideki Imai, Kazuyoshi Taya, Toshiyuki Himi. Maternal isobutyl-paraben exposure decreases the plasma corticosterone level in dams and sensitivity to estrogen in female offspring rats. The Journal of veterinary medical science. 2009 Aug; 71(8):1027-33. doi: 10.1292/jvms.71.1027. [PMID: 19721353]
  • Hiroshi Yamamoto, Mikako Watanabe, Yoshiko Hirata, Yuki Nakamura, Yudai Nakamura, Chise Kitani, Jun Sekizawa, Masaya Uchida, Hiroshi Nakamura, Yoshihiro Kagami, Masaaki Koshio, Narisato Hirai, Norihisa Tatarazako. Preliminary ecological risk assessment of butylparaben and benzylparaben -1. Removal efficiency in wastewater treatment, acute/chronic toxicity for aquatic organisms, and effects on medaka gene expression. Environmental sciences : an international journal of environmental physiology and toxicology. 2007; 14 Suppl(?):73-87. doi: . [PMID: 18382416]
  • Xiaoyun Ye, Amber M Bishop, John A Reidy, Larry L Needham, Antonia M Calafat. Parabens as urinary biomarkers of exposure in humans. Environmental health perspectives. 2006 Dec; 114(12):1843-6. doi: 10.1289/ehp.9413. [PMID: 17185273]