7-Hydroxy-3,7-dimethyloctanal (BioDeep_00000022955)

   

human metabolite Endogenous Volatile Flavor Compounds


代谢物信息卡片


3,7-Dimethyl-7-hydroxyoctan-1-al

化学式: C10H20O2 (172.14632200000003)
中文名称: 羟基香草醛, 羟基香茅醛
谱图信息: 最多检出来源 Bos taurus(endogenous) 85.71%

分子结构信息

SMILES: CC(CC=O)CCCC(C)(C)O
InChI: InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3

描述信息

(±)-7-Hydroxy-3,7-dimethyloctanal is a flavouring ingredient.
Occurs in essential oils

同义名列表

11 个代谢物同义名

3,7-Dimethyl-7-hydroxyoctan-1-al; 7-Hydroxy-3,7-dimethyloctanal; 3,7-Dimethyl-7-hydroxyoctanal; Citronellal hydric acid; 7-Hydroxycitronellal; Citronellal hydrate; Hydroxy citronellal; Hydroxycitronellal; FEMA 2583; Phixia; Hydroxycitronellal



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)

2 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

  • Nikola Pluym, Wolf Petreanu, Till Weber, Gerhard Scherer, Max Scherer, Marike Kolossa-Gehring. Biomonitoring data on young adults from the Environmental Specimen Bank suggest a decrease in the exposure to the fragrance chemical 7-hydroxycitronellal in Germany from 2000 to 2018. International journal of hygiene and environmental health. 2020 06; 227(?):113508. doi: 10.1016/j.ijheh.2020.113508. [PMID: 32172157]
  • Tobie D Lee, Olivia W Lee, Kyle R Brimacombe, Lu Chen, Rajarshi Guha, Sabrina Lusvarghi, Bethilehem G Tebase, Carleen Klumpp-Thomas, Robert W Robey, Suresh V Ambudkar, Min Shen, Michael M Gottesman, Matthew D Hall. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology. 2019 11; 96(5):629-640. doi: 10.1124/mol.119.115964. [PMID: 31515284]
  • Markus Stoeckelhuber, Dusan Krnac, Nikola Pluym, Max Scherer, Oliver Peschel, Edgar Leibold, Gerhard Scherer. Human metabolism and excretion kinetics of the fragrance 7-hydroxycitronellal after a single oral or dermal dosage. International journal of hygiene and environmental health. 2018 03; 221(2):239-245. doi: 10.1016/j.ijheh.2017.10.015. [PMID: 29108680]
  • Markus Stoeckelhuber, Dusan Krnac, Nikola Pluym, Max Scherer, Edgar Leibold, Gerhard Scherer. A validated UPLC-MS/MS method for biomonitoring the exposure to the fragrance 7-hydroxycitronellal. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2017 Nov; 1068-1069(?):261-267. doi: 10.1016/j.jchromb.2017.10.040. [PMID: 29128278]
  • Marianne Placzek, Wolfgang Frömel, Bernadette Eberlein, Klaus-Peter Gilbertz, Bernhard Przybilla. Evaluation of phototoxic properties of fragrances. Acta dermato-venereologica. 2007; 87(4):312-6. doi: 10.2340/00015555-0251. [PMID: 17598033]
  • Marta Kieć-Swierczyńska, Beata Krecisz, Dominika Swierczyńska-Machura. [Contact allergy to fragrances]. Medycyna pracy. 2006; 57(5):431-7. doi: . [PMID: 17340985]
  • Clarissa D Villarama, Howard I Maibach. Correlations of patch test reactivity and the repeated open application test (ROAT)/provocative use test (PUT). Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 2004 Nov; 42(11):1719-25. doi: 10.1016/j.fct.2004.05.009. [PMID: 15350669]
  • W G Larsen. Perfume dermatitis. Journal of the American Academy of Dermatology. 1985 Jan; 12(1 Pt 1):1-9. doi: 10.1016/s0190-9622(85)70001-1. [PMID: 3884673]