(3S)-3-hydroxycyclocitral (BioDeep_00000013031)

 

Secondary id: BioDeep_00001869740

human metabolite


代谢物信息卡片


(4R)-4-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-carboxaldehyde

化学式: C10H16O2 (168.1150236)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 0.09%

分子结构信息

SMILES: CC1=C(C(CC(C1)O)(C)C)C=O
InChI: InChI=1S/C10H16O2/c1-7-4-8(12)5-10(2,3)9(7)6-11/h6,8,12H,4-5H2,1-3H3/t8-/m1/s1

描述信息

(3s)-3-hydroxycyclocitral, also known as 3beta-hydroxy-beta-cyclocitral, is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl) (3s)-3-hydroxycyclocitral is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (3s)-3-hydroxycyclocitral can be found in a number of food items such as garden tomato (variety), malabar plum, lime, and pot marjoram, which makes (3s)-3-hydroxycyclocitral a potential biomarker for the consumption of these food products.

同义名列表

10 个代谢物同义名

(4R)-4-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-carboxaldehyde; (4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde; 3beta-Hydroxy-beta-cyclocitral; (3S)-3-hydroxycyclocitral; 3b-Hydroxy-b-cyclocitral; 3Β-hydroxy-β-cyclocitral; Hydroxy-beta-cyclocitral; Hydroxy-β-cyclocitral; Hydroxy-b-cyclocitral; HTCC



数据库引用编号

11 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(2)

PlantCyc(2)

代谢反应

38 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(4)

  • carotenoid cleavage: β-carotene + O2 ⟶ β-ionone + 4,9-dimethyldodeca-2,4,6,8,10-pentaene-1,12-dial
  • crocetin biosynthesis: β-citraurin + O2 ⟶ 3β-hydroxy-β-cyclocitral + 8',8-diapocarotene-8',8-dial
  • carotenoid cleavage: all-trans-β-carotene + O2 ⟶ β-ionone + 4,9-dimethyldodeca-2,4,6,8,10-pentaene-1,12-dial
  • crocetin biosynthesis: O2 + zeaxanthin ⟶ (3S)-3-hydroxycyclocitral + crocetin dialdehyde

WikiPathways(0)

Plant Reactome(27)

INOH(0)

PlantCyc(7)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

5 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

  • Mehdi Jalali-Heravi, Hadi Parastar, Heshmatollah Ebrahimi-Najafabadi. Self-modeling curve resolution techniques applied to comparative analysis of volatile components of Iranian saffron from different regions. Analytica chimica acta. 2010 Mar; 662(2):143-54. doi: 10.1016/j.aca.2010.01.013. [PMID: 20171313]
  • Mehdi Jalali-Heravi, Hadi Parastar, Heshmatollah Ebrahimi-Najafabadi. Characterization of volatile components of Iranian saffron using factorial-based response surface modeling of ultrasonic extraction combined with gas chromatography-mass spectrometry analysis. Journal of chromatography. A. 2009 Aug; 1216(33):6088-97. doi: 10.1016/j.chroma.2009.06.067. [PMID: 19595355]