1,3-Butanediol (BioDeep_00000013383)

 

Secondary id: BioDeep_00000616875

human metabolite Endogenous PANOMIX_OTCML-2023


代谢物信息卡片


1,3-Butylene glycol, (14)C-labeled

化学式: C4H10O2 (90.068076)
中文名称: 1,3-丁二醇
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 50%

分子结构信息

SMILES: CC(CCO)O
InChI: InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3

描述信息

1,3-Butanediol, also known as b-butylene glycol or BD, belongs to the class of organic 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). 1,3-Butanediol is a bitter and odorless tasting compound. 1,3-Butanediol has been detected, but not quantified, in several different foods, such as green bell peppers, orange bell peppers, pepper (c. annuum), red bell peppers, and yellow bell peppers. This could make 1,3-butanediol a potential biomarker for the consumption of these foods. A butanediol compound having two hydroxy groups in the 1- and 3-positions.
Solv. for flavouring agents
1,3-Butanediol, an ethanol dimer providing a source of calories for human nutrition. 1,3-Butanediol is converted in the body to β-hydroxybutyrate and has cerebral protective and hypoglycaemic effect[1][2].

同义名列表

28 个代谢物同义名

1,3-Butylene glycol, (14)C-labeled; 1,3-Butylene glycol, (DL)-isomer; 1,3-Butylene glycol, (S)-isomer; 1,3-Butylene glycol, (R)-isomer; Methyltrimethylene glycol; 1-Methyl-1,3-propanediol; (S)-(+)-Butane-1,3-diol; (R)-(-)-Butane-1,3-diol; (S)-(+)-1,3-BUTANEDIOL; (.+/-.)-1,3-butanediol; beta-Butylene glycol; (+/-)-1,3-butanediol; 1,3-Butylene glycol; 1,3-Dihydroxybutane; 1,3 Butylene glycol; (S)-1,3-Butanediol; (R)-1,3-Butanediol; (RS)-1,3-Butandiol; DL-1,3-Butanediol; Β-butylene glycol; 1,3-Butylenglykol; b-Butylene glycol; Butane-1,3-diol; Butylene glycol; 1,3-BUTANEDIOL; 1,3-Butanodiol; 1,3-Butandiol; BD



数据库引用编号

17 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

  • Ting Zhang, Shaokai Huang, Jingyi Qiu, Xuangao Wu, Heng Yuan, Sunmin Park. Beneficial Effect of Gastrodia elata Blume and Poria cocos Wolf Administration on Acute UVB Irradiation by Alleviating Inflammation through Promoting the Gut-Skin Axis. International journal of molecular sciences. 2022 Sep; 23(18):. doi: 10.3390/ijms231810833. [PMID: 36142744]
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  • Cameron G McCarthy, Emily W Waigi, Gagandeep Singh, Thaddaeus R Castaneda, Blair Mell, Saroj Chakraborty, Camilla F Wenceslau, Bina Joe. Physiologic, Metabolic, and Toxicologic Profile of 1,3-Butanediol. The Journal of pharmacology and experimental therapeutics. 2021 11; 379(3):245-252. doi: 10.1124/jpet.121.000796. [PMID: 34521698]
  • Masayo Isoda, Ken Ebihara, Nagisa Sawayama, Akiko Murakami, Chihiro Ebihara, Koji Shibuya, Akihito Takei, Shoko Takei, Tetsuji Wakabayashi, Daisuke Yamamuro, Manabu Takahashi, Shuichi Nagashima, Shun Ishibashi. Leptin sensitizing effect of 1,3-butanediol and its potential mechanism. Scientific reports. 2021 09; 11(1):17691. doi: 10.1038/s41598-021-96460-y. [PMID: 34489483]
  • Kun Zhang, Haidong Zhang, Hongjie Yi, Guoyang Huang, Xupeng Zhao, Shichong Yu, Weigang Xu. The protective effects of 1,3-butanediol acetoacetate diester on decompression sickness in rats. Journal of applied physiology (Bethesda, Md. : 1985). 2021 08; 131(2):435-441. doi: 10.1152/japplphysiol.00035.2021. [PMID: 34166120]
  • Jeanne A Ishimwe, Michael R Garrett, Jennifer M Sasser. 1,3-Butanediol attenuates hypertension and suppresses kidney injury in female rats. American journal of physiology. Renal physiology. 2020 07; 319(1):F106-F114. doi: 10.1152/ajprenal.00141.2020. [PMID: 32508113]
  • Hans-Joachim Anders, Beatriz Suarez-Alvarez, Melissa Grigorescu, Orestes Foresto-Neto, Stefanie Steiger, Jyaysi Desai, Julian A Marschner, Mohsen Honarpisheh, Chongxu Shi, Jutta Jordan, Lisa Müller, Nicolai Burzlaff, Tobias Bäuerle, Shrikant R Mulay. The macrophage phenotype and inflammasome component NLRP3 contributes to nephrocalcinosis-related chronic kidney disease independent from IL-1-mediated tissue injury. Kidney international. 2018 03; 93(3):656-669. doi: 10.1016/j.kint.2017.09.022. [PMID: 29241624]
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  • Jan Willmann, Kerstin Mahlstedt, Dieter Leibfritz, Manfred Spraul, Herbert Thiele. Characterization of sphingomyelins in lipid extracts using a HPLC-MS-Offline-NMR method. Analytical chemistry. 2007 Jun; 79(11):4188-91. doi: 10.1021/ac062326h. [PMID: 17469795]
  • Minghua Lu, Ping Tong, Hui Xiao, Shifei Xia, Xinyu Zheng, Wei Liu, Lan Zhang, Guonan Chen. A new method for screening and determination of diuretics by on-line CE-ESI-MS. Electrophoresis. 2007 May; 28(9):1461-71. doi: 10.1002/elps.200600543. [PMID: 17367107]
  • Lubor Urbánek, Lenka Krcmová, Dagmar Solichová, Bohuslav Melichar, Veronika Opletalová, Petr Solich. Development and validation of a liquid chromatography method for the simultaneous determination of alpha-tocopherol, retinol and retinyl esters in human serum using a monolithic column for the monitoring of anticancer therapy side effects. Journal of separation science. 2006 Nov; 29(16):2485-93. doi: 10.1002/jssc.200600153. [PMID: 17154129]
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  • Alexander Magerl, Claudia Pirker, Peter J Frosch. [Allergic contact eczema from shellac and 1,3-butylene glycol in an eyeliner]. Journal der Deutschen Dermatologischen Gesellschaft = Journal of the German Society of Dermatology : JDDG. 2003 Apr; 1(4):300-2. doi: ". [PMID: 16285485]
  • Roman Kubec, Seokwon Kim, Rabi A Musah. S-Substituted cysteine derivatives and thiosulfinate formation in Petiveria alliacea-part II. Phytochemistry. 2002 Nov; 61(6):675-80. doi: 10.1016/s0031-9422(02)00328-x. [PMID: 12423888]
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  • T R Smith, A R Hippen, D C Beitz, J W Young. Metabolic characteristics of induced ketosis in normal and obese dairy cows. Journal of dairy science. 1997 Aug; 80(8):1569-81. doi: 10.3168/jds.s0022-0302(97)76087-9. [PMID: 9276795]
  • C Meenakshi, K L Kumari, C S Devi. Biochemical studies on the effect of S-1,3-butanediol of diabetes induced rats. Indian journal of physiology and pharmacology. 1995 Apr; 39(2):145-8. doi: NULL. [PMID: 7649603]
  • L Powers, S T Ciraolo, K C Agarwal, A Kumar, C Bomont, M V Soloviev, F David, S Desrochers, H Brunengraber. Assay of the enantiomers of 1,2-propanediol, 1,3-butanediol, 1,3-pentanediol, and the corresponding hydroxyacids by gas chromatography-mass spectrometry. Analytical biochemistry. 1994 Sep; 221(2):323-8. doi: 10.1006/abio.1994.1420. [PMID: 7810873]
  • S Gueldry, J Bralet. Effect of 1,3-butanediol on cerebral energy metabolism. Comparison with beta-hydroxybutyrate. Metabolic brain disease. 1994 Jun; 9(2):171-81. doi: 10.1007/bf01999770. [PMID: 8072465]
  • S Gueldry, C Marie, G Christofi, G S Sarna, T P Obrenovitch. Changes in extracellular and rat brain tissue concentrations of D-beta-hydroxybutyrate after 1,3-butanediol treatment. Journal of neurochemistry. 1994 Jan; 62(1):223-6. doi: 10.1046/j.1471-4159.1994.62010223.x. [PMID: 8263521]
  • C A Valdez, O Abas Mazni, Y Takahashi, S Fujikawa, H Kanagawa. Successful cryopreservation of mouse blastocysts using a new vitrification solution. Journal of reproduction and fertility. 1992 Nov; 96(2):793-802. doi: 10.1530/jrf.0.0960793. [PMID: 1339859]
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  • B J Nonnecke, S T Franklin, J W Young. Effects of ketones, acetate, and glucose on in vitro immunoglobulin secretion by bovine lymphocytes. Journal of dairy science. 1992 Apr; 75(4):982-90. doi: 10.3168/jds.s0022-0302(92)77840-0. [PMID: 1578036]
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  • G S Dufva, E E Bartley, T G Nagaraja, A D Dayton, R A Frey. Effect of dietary niacin supplementation on phlorhizin and 1,3-butanediol-induced ketonemia and hypoglycemia in steers. American journal of veterinary research. 1984 Sep; 45(9):1835-7. doi: . [PMID: 6497141]
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