Dihexyl phthalate (BioDeep_00000001133)

 

Secondary id: BioDeep_00001873636

human metabolite blood metabolite natural product Industrial Pollutants Volatile Flavor Compounds


代谢物信息卡片


1,2-dihexyl benzene-1,2-dicarboxylate

化学式: C20H30O4 (334.214398)
中文名称: 苯二甲酸二正己酯, 邻苯二甲酸二己酯, 邻苯二甲酸二异己酯
谱图信息: 最多检出来源 Mus musculus(blood) 28.57%

分子结构信息

SMILES: CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC
InChI: InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 1314; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10876; ORIGINAL_PRECURSOR_SCAN_NO 10875
CONFIDENCE standard compound; INTERNAL_ID 1314; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10893; ORIGINAL_PRECURSOR_SCAN_NO 10892
CONFIDENCE standard compound; INTERNAL_ID 1314; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10920; ORIGINAL_PRECURSOR_SCAN_NO 10918
CONFIDENCE standard compound; INTERNAL_ID 1314; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10916; ORIGINAL_PRECURSOR_SCAN_NO 10915
CONFIDENCE standard compound; INTERNAL_ID 1314; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10914; ORIGINAL_PRECURSOR_SCAN_NO 10912
CONFIDENCE standard compound; INTERNAL_ID 1314; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10870; ORIGINAL_PRECURSOR_SCAN_NO 10868

同义名列表

12 个代谢物同义名

1,2-dihexyl benzene-1,2-dicarboxylate; Dihexyl 1,2-benzenedicarboxylic acid; Dihexyl 1,2-benzenedicarboxylate; Phthalic acid dihexyl ester; Di-N-hexyl phthalic acid; Dihexyl phthalic acid; DI-N-HEXYL PHTHALATE; DIHEXYL PHTHALATE; DHxPA; DiHxPA; Di-n-hexyl phthalate; Dihexyl phthalate



数据库引用编号

22 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)

10 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

  • Duygu Aydemir, Mufide Aydogan-Ahbab, Nurhayat Barlas, Nuriye Nuray Ulusu. Effects of the in-utero dicyclohexyl phthalate and di-n-hexyl phthalate administration on the oxidative stress-induced histopathological changes in the rat liver tissue correlated with serum biochemistry and hematological parameters. Frontiers in endocrinology. 2023; 14(?):1128202. doi: 10.3389/fendo.2023.1128202. [PMID: 37274322]
  • Dan Song, Chao Xu, Askild L Holck, Rong Liu. Combining metabolomics with bioanalysis methods to investigate the potential toxicity of dihexyl phthalate. Environmental toxicology. 2021 Feb; 36(2):213-222. doi: 10.1002/tox.23027. [PMID: 33043605]
  • Jianxin Ye, Kangnan Zhang, Xindi Yuan, Haosen Ji, Miner Hu, Tongliang Huang, Ren-Shan Ge. Di-n-hexyl phthalate causes Leydig cell hyperplasia in rats during puberty. Toxicology letters. 2020 Oct; 332(?):213-221. doi: 10.1016/j.toxlet.2020.07.018. [PMID: 32693021]
  • Nurhayat Barlas, Emre Göktekin, Gözde Karabulut. Influence of in utero di-n-hexyl phthalate and di-cyclohexyl phthalate exposure on the endocrine glands and T3, T4, and TSH hormone levels of male and female rats: Postnatal outcomes. Toxicology and industrial health. 2020 Jun; 36(6):399-416. doi: 10.1177/0748233720931698. [PMID: 32602421]
  • Anika Engel, Thorsten Buhrke, Francine Imber, Sönke Jessel, Albrecht Seidel, Wolfgang Völkel, Alfonso Lampen. Agonistic and antagonistic effects of phthalates and their urinary metabolites on the steroid hormone receptors ERα, ERβ, and AR. Toxicology letters. 2017 Aug; 277(?):54-63. doi: 10.1016/j.toxlet.2017.05.028. [PMID: 28571686]
  • Gunnar Toft, Bo A G Jönsson, Christian H Lindh, Tina Kold Jensen, Niels H Hjollund, Anne Vested, Jens Peter Bonde. Association between pregnancy loss and urinary phthalate levels around the time of conception. Environmental health perspectives. 2012 Mar; 120(3):458-63. doi: 10.1289/ehp.1103552. [PMID: 22113848]
  • Chinnapaiyan Srinivasan, Adam Ismail Khan, Venkataraman Balaji, Jayaraman Selvaraj, Karundevi Balasubramanian. Diethyl hexyl phthalate-induced changes in insulin signaling molecules and the protective role of antioxidant vitamins in gastrocnemius muscle of adult male rat. Toxicology and applied pharmacology. 2011 Dec; 257(2):155-64. doi: 10.1016/j.taap.2011.08.022. [PMID: 21911000]
  • Ting-ting Li, Liang-zhi Xu, Yong-heng Chen, Hong-mei Deng, Chun-ying Liang, Ying Liu, Xiao-fang Liu, Jing Zhang, De-ying Kang, Dong-sheng Qiu, Dai-wen Han, Rong Hu. [Effects of eight environmental endocrine disruptors on insulin resistance in patients with polycystic ovary syndrome: a preliminary investigation]. Nan fang yi ke da xue xue bao = Journal of Southern Medical University. 2011 Oct; 31(10):1753-6. doi: NULL. [PMID: 22027783]
  • Stewart M Rhind, Carol E Kyle, Gillian Telfer, Elizabeth I Duff, Alistair Smith. Alkyl phenols and diethylhexyl phthalate in tissues of sheep grazing pastures fertilized with sewage sludge or inorganic fertilizer. Environmental health perspectives. 2005 Apr; 113(4):447-53. doi: 10.1289/ehp.7469. [PMID: 15811823]
  • J A Howarth, S C Price, M Dobrota, P A Kentish, R H Hinton. Effects on male rats of di-(2-ethylhexyl) phthalate and di-n-hexylphthalate administered alone or in combination. Toxicology letters. 2001 Apr; 121(1):35-43. doi: 10.1016/s0378-4274(01)00313-7. [PMID: 11312035]
  • J Nielsen, B Akesson, S Skerfving. Phthalate ester exposure--air levels and health of workers processing polyvinylchloride. American Industrial Hygiene Association journal. 1985 Nov; 46(11):643-7. doi: 10.1080/15298668591395463. [PMID: 4072908]
  • R H Hinton, S C Price, F E Mitchell, A Mann, D E Hall, J W Bridges. Plasma protein changes in rats treated with hypolipidaemic drugs and with phthalate esters. Human toxicology. 1985 May; 4(3):261-71. doi: 10.1177/096032718500400306. [PMID: 4007889]
  • A H Mann, S C Price, F E Mitchell, P Grasso, R H Hinton, J W Bridges. Comparison of the short-term effects of di(2-ethylhexyl) phthalate, di(n-hexyl) phthalate, and di(n-octyl) phthalate in rats. Toxicology and applied pharmacology. 1985 Jan; 77(1):116-32. doi: 10.1016/0041-008x(85)90273-x. [PMID: 3966235]
  • A E Ganning, U Brunk, G Dallner. Phthalate esters and their effect on the liver. Hepatology (Baltimore, Md.). 1984 May; 4(3):541-7. doi: 10.1002/hep.1840040331. [PMID: 6373551]
  • T J O'Shea, C J Stafford. Phthalate plasticizers: accumulation and effects on weight and food consumption in captive starlings. Bulletin of environmental contamination and toxicology. 1980 Sep; 25(3):345-52. doi: 10.1007/bf01985536. [PMID: 7426782]
  • L Giuliani, G Carmignani, E Belgrano, P Puppo. Transcatheter arterial embolization in urological tumors: the use of isobutyl-2-cyanoacrylate. The Journal of urology. 1979 May; 121(5):630-4. doi: 10.1016/s0022-5347(17)56913-x. [PMID: 439260]
  • K J Sweadner, S M Goldin. Reconstitution of active ion transport by the sodium and potassium ion-stimulated adenosine triphosphatase from canine brain. The Journal of biological chemistry. 1975 May; 250(10):4022-4. doi: . [PMID: 123920]
  • A W Mondorf. [Evidence of urinary tubular proteins in inflammatory and toxic kidney damage]. Wiener medizinische Wochenschrift. Supplement. 1975; 27(?):20-3. doi: NULL. [PMID: 5816]