9,10-Dihydroxystearic acid (BioDeep_00000001049)

 

Secondary id: BioDeep_00000006719, BioDeep_00001867590

human metabolite PANOMIX_OTCML-2023 Volatile Flavor Compounds natural product


代谢物信息卡片


Calcium (9 or 10)-hydroxy-(10 or 9)-oxidooctadecanoate

化学式: C18H36O4 (316.2613456)
中文名称: 9,10-二羟基硬脂酸, 9,10-二羟硬脂酸, 9,10-二羟基十八酸
谱图信息: 最多检出来源 Macaca mulatta(otcml) 0.55%

分子结构信息

SMILES: C(=O)(O)CCCCCCC[C@H]([C@@H](O)CCCCCCCC)O
InChI: InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)

描述信息

9,10-dihydroxystearic acid, also known as 9,10-dhsa or 9,10-dioh 18:0, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, 9,10-dihydroxystearic acid is considered to be an octadecanoid lipid molecule. 9,10-dihydroxystearic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 9,10-dihydroxystearic acid can be found in peanut, which makes 9,10-dihydroxystearic acid a potential biomarker for the consumption of this food product.
9,10-dihydroxyoctadecanoic acid is a hydroxy-fatty acid formally derived from octacecanoic (stearic) acid by hydroxy substitution at positions 9 and 10. It is a dihydroxy monocarboxylic acid and a hydroxyoctadecanoic acid. It is a conjugate acid of a 9,10-dihydroxystearate.
9,10-Dihydroxystearic acid is a natural product found in Trypanosoma brucei and Apis cerana with data available.

同义名列表

40 个代谢物同义名

Calcium (9 or 10)-hydroxy-(10 or 9)-oxidooctadecanoate; (+/-)-Erythro-9,10-dihydroxyoctadecanoic acid; (9R,10R)-rel-9,10-Dihydroxyoctadecanoic Acid; 9,10-dihydroxystearic acid, monocalcium salt; 9,10-dihydroxystearic acid, (R*,R*)-isomer; 9,10-dihydroxystearic acid, potassium salt; 9,10-dihydroxystearic acid, (R*,S*)-isomer; 9,10-dihydroxystearic acid, magnesium salt; 9,10-dihydroxystearic acid, dicalcium salt; 9,10-dihydroxystearic acid, ammonium salt; 9,10-dihydroxystearic acid, lithium salt; 9,10-Dihydroxyoctadecanoic acid, threo-; 9,10-dihydroxystearic acid, sodium salt; rac threo-9,10-Dihydroxystearic Acid; theta, etha - Dihydroxystearic acid; Octadecanoic acid, 9,10-dihydroxy-; trans-9,10-Dihydroxystearic Acid; 9,10-dihydroxy-octadecanoic acid; Octadecanoic acid,10-dihydroxy-; 9,10-Dihydroxyoctadecanoic acid; rashayan dihydroxystearic acid; 9,10-Dihydroxystearinsaeure; 9,10-dihydroxy stearic acid; 9,10-Dihydroxyoctadecanoate; 9,10-Dihydroxystearic acid; di hydroxy stearic acid; 9,10-Dihydroxystearate; Dihydroxystearic acid; Dioxystearinsaeure; UNII-6C8DC6UQ5A; NCIOpen2_007703; 9,10-diOH C18:0; 9,10-diOH 18:0; 6C8DC6UQ5A; FA 18:0;O2; 9,10-DHSA; AI3-14192; C18H36O4; DHSA; (9R,10R)-Dihydroxyoctadecanoic acid



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)

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PharmGKB(0)

17 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

  • Edward J Whittle, Yuanheng Cai, Jantana Keereetaweep, Jin Chai, Peter H Buist, John Shanklin. Castor Stearoyl-ACP Desaturase Can Synthesize a Vicinal Diol by Dioxygenase Chemistry. Plant physiology. 2020 02; 182(2):730-738. doi: 10.1104/pp.19.01111. [PMID: 31806737]
  • Gregory F L Koay, Teong-Guan Chuah, Sumaiya Zainal-Abidin, Salmiah Ahmad, Thomas S Y Choong. Development, characterization and commercial application of palm based dihydroxystearic acid and its derivatives: an overview. Journal of oleo science. 2011; 60(5):237-65. doi: 10.5650/jos.60.237. [PMID: 21502724]
  • Diane Julien-David, Saïd Ennahar, Michel Miesch, Philippe Geoffroy, Francis Raul, Dalal Aoude-Werner, Jean-Marc Lessinger, Eric Marchioni. Effects of oxidation on the hydrolysis by cholesterol esterase of sitosteryl esters as compared to a cholesteryl ester. Steroids. 2009 Oct; 74(10-11):832-6. doi: 10.1016/j.steroids.2009.05.003. [PMID: 19464305]
  • R Awang, M Basri, S Ahmad, A B Salleh. Lipase-catalyzed esterification of palm-based 9,10-dihydroxystearic acid and 1-octanol in hexane--a kinetic study. Biotechnology letters. 2004 Jan; 26(1):11-4. doi: 10.1023/b:bile.0000009452.73477.26. [PMID: 15005144]
  • F Pinot, I Benveniste, J P Salaün, O Loreau, J P Noël, L Schreiber, F Durst. Production in vitro by the cytochrome P450 CYP94A1 of major C18 cutin monomers and potential messengers in plant-pathogen interactions: enantioselectivity studies. The Biochemical journal. 1999 Aug; 342 ( Pt 1)(?):27-32. doi: 10.1042/0264-6021:3420027. [PMID: 10432296]