valerate (BioDeep_00000861813)

Main id: BioDeep_00000002865

 

PANOMIX_OTCML-2023 BioNovoGene_Lab2019


代谢物信息卡片


InChI=1\C5H10O2\c1-2-3-4-5(6)7\h2-4H2,1H3,(H,6,7

化学式: C5H10O2 (102.0681)
中文名称: 正戊酸, 缬草酸, 戊酸
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCC(=O)O
InChI: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)

描述信息

同义名列表

44 个代谢物同义名

InChI=1\C5H10O2\c1-2-3-4-5(6)7\h2-4H2,1H3,(H,6,7; 4-02-00-00868 (Beilstein Handbook Reference); Kyselina valerova [Czech]; 1-Butanecarboxylic acid; Butanecarboxylic acid; Valeric acid, normal; Propylacetic acid; VALERIC ACID, N-; N-Pentanoic acid; EINECS 203-677-2; Valerianic acid; CH3-[CH2]3-COOH; W310107_ALDRICH; pentanoic acid; 240370_ALDRICH; N-Valeric acid; 110140_ALDRICH; Valeriansaeure; Pentanic acid; FEMA No. 3101; LMFA01010005; Valeric acid; ZINC05955167; Pentoic acid; SMR000471834; N-Pentanoate; MLS001066335; CHEBI:17418; AIDS-017600; BRN 0969454; 75054_FLUKA; NSC 406833; 12124-87-7; AIDS017600; AI3-08657; HSDB 5390; NSC406833; 109-52-4; WLN: QV4; valerate; LS-3150; C00803; Valeric acid; Pentanoate



数据库引用编号

19 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)

35 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。

亚细胞结构定位 关联基因列表
Cytoplasm 4 CAT, MTOR, PIK3CA, TJP1
Peripheral membrane protein 2 MTOR, TJP1
Endoplasmic reticulum membrane 2 CD4, MTOR
Nucleus 2 MTOR, TJP1
cytosol 5 CAT, LIPE, MTOR, PIK3CA, TJP1
dendrite 1 MTOR
phagocytic vesicle 1 MTOR
nucleoplasm 1 MTOR
Cell membrane 9 CD4, CLDN1, FFAR2, FFAR3, LIPE, OCLN, SLC38A5, TJP1, TNF
Cytoplasmic side 2 MTOR, TJP1
lamellipodium 1 PIK3CA
Multi-pass membrane protein 5 CLDN1, FFAR2, FFAR3, OCLN, SLC38A5
Golgi apparatus membrane 1 MTOR
cell junction 2 OCLN, TJP1
cell surface 1 TNF
Golgi membrane 2 INS, MTOR
lysosomal membrane 2 MTOR, OCLN
neuronal cell body 1 TNF
Cytoplasm, cytosol 1 LIPE
Lysosome 1 MTOR
plasma membrane 11 CD4, CLDN1, FFAR2, FFAR3, GCG, MUC2, OCLN, PIK3CA, SLC38A5, TJP1, TNF
Membrane 7 CAT, CLDN1, FFAR2, LIPE, MTOR, OCLN, SLC38A5
apical plasma membrane 3 CLDN1, OCLN, TJP1
basolateral plasma membrane 2 CLDN1, TJP1
caveola 1 LIPE
extracellular exosome 1 CAT
Lysosome membrane 1 MTOR
extracellular space 9 CRP, GCG, IL10, IL17A, IL6, INS, MUC2, TNF, TSLP
perinuclear region of cytoplasm 1 PIK3CA
Cell junction, tight junction 3 CLDN1, OCLN, TJP1
adherens junction 1 TJP1
apicolateral plasma membrane 2 OCLN, TJP1
bicellular tight junction 3 CLDN1, OCLN, TJP1
gap junction 1 TJP1
intercalated disc 2 PIK3CA, TJP1
intercellular canaliculus 1 TJP1
mitochondrion 2 CAT, TJP1
protein-containing complex 4 CAT, CLDN1, OCLN, TJP1
intracellular membrane-bounded organelle 1 CAT
Microsome membrane 1 MTOR
TORC1 complex 1 MTOR
TORC2 complex 1 MTOR
Single-pass type I membrane protein 1 CD4
Secreted 8 CRP, GCG, IL10, IL17A, IL6, INS, MUC2, TSLP
extracellular region 10 CAT, CRP, GCG, IL10, IL17A, IL6, INS, MUC2, TNF, TSLP
Mitochondrion outer membrane 1 MTOR
mitochondrial outer membrane 1 MTOR
mitochondrial matrix 1 CAT
external side of plasma membrane 3 CD4, IL17A, TNF
cytoplasmic vesicle 1 OCLN
Early endosome 1 CD4
apical part of cell 1 TJP1
cell-cell junction 1 OCLN
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
Membrane raft 2 CD4, TNF
focal adhesion 1 CAT
extracellular matrix 1 MUC2
Peroxisome 1 CAT
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
Nucleus, PML body 1 MTOR
PML body 1 MTOR
collagen-containing extracellular matrix 1 MUC2
lateral plasma membrane 1 CLDN1
cell leading edge 1 OCLN
cell projection 2 FFAR2, TJP1
phagocytic cup 1 TNF
Cell projection, podosome 1 TJP1
podosome 1 TJP1
Basolateral cell membrane 1 CLDN1
nuclear envelope 1 MTOR
Endomembrane system 1 MTOR
endosome lumen 1 INS
Lipid droplet 1 LIPE
Membrane, caveola 1 LIPE
ficolin-1-rich granule lumen 1 CAT
secretory granule lumen 3 CAT, GCG, INS
Golgi lumen 2 INS, MUC2
endoplasmic reticulum lumen 4 CD4, GCG, IL6, INS
phosphatidylinositol 3-kinase complex 1 PIK3CA
phosphatidylinositol 3-kinase complex, class IA 1 PIK3CA
endocytic vesicle 1 OCLN
transport vesicle 1 INS
tight junction 3 CLDN1, OCLN, TJP1
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 INS
clathrin-coated endocytic vesicle membrane 1 CD4
apical junction complex 1 TJP1
Cytoplasmic vesicle, phagosome 1 MTOR
[Glucagon-like peptide 1]: Secreted 1 GCG
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
T cell receptor complex 1 CD4
catalase complex 1 CAT
interleukin-6 receptor complex 1 IL6
phosphatidylinositol 3-kinase complex, class IB 1 PIK3CA
inner mucus layer 1 MUC2
outer mucus layer 1 MUC2
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF


文献列表

  • Yiming Ni, Liangyin Cai, Xiaojun Gou, Wenjie Li, Mingmei Zhou, Ying Huang. Therapeutic effect of Sanhua decoction on rats with middle cerebral artery occlusion and the associated changes in gut microbiota and short-chain fatty acids. PloS one. 2024; 19(2):e0298148. doi: 10.1371/journal.pone.0298148. [PMID: 38363776]
  • Krzysztof Kowalski, Bogumiła Szponar, Patrycja Bochen, Paulina Żebrowska-Różańska, Łukasz Łaczmański, Jerzy Samochowiec, Błażej Misiak. Altered levels of fecal short-chain fatty acids are associated with subclinical inflammation and worse cognitive performance in patients with schizophrenia. Journal of psychiatric research. 2023 Jul; 165(?):298-304. doi: 10.1016/j.jpsychires.2023.07.042. [PMID: 37552919]
  • Ying He, Bang Cheng, Bing-Jian Guo, Zheng Huang, Jing-Hua Qin, Qian-Yi Wang, Lin-Lin Feng, Yun-Yuan Nong, Dan Zhu, Hong-Wei Guo, Zhi-Heng Su. Metabonomics and 16S rRNA gene sequencing to study the therapeutic mechanism of Danggui Sini decoction on collagen-induced rheumatoid arthritis rats with Cold Bi syndrome. Journal of pharmaceutical and biomedical analysis. 2023 Jan; 222(?):115109. doi: 10.1016/j.jpba.2022.115109. [PMID: 36270097]
  • Rui Han, Hongxing Yang, Ya Li, Changquan Ling, Lingeng Lu. Valeric acid acts as a novel HDAC3 inhibitor against prostate cancer. Medical oncology (Northwood, London, England). 2022 Sep; 39(12):213. doi: 10.1007/s12032-022-01814-9. [PMID: 36175803]
  • Hao Lin, Qingqing Guo, Zhiyong Wen, Songlin Tan, Jie Chen, Lijian Lin, Pengcheng Chen, Jianquan He, Jianbo Wen, Ye Chen. The multiple effects of fecal microbiota transplantation on diarrhea-predominant irritable bowel syndrome (IBS-D) patients with anxiety and depression behaviors. Microbial cell factories. 2021 Dec; 20(1):233. doi: 10.1186/s12934-021-01720-1. [PMID: 34963452]
  • Zhongmeng Lai, Weiran Shan, Jun Li, Jia Min, Xianzhang Zeng, Zhiyi Zuo. Appropriate exercise level attenuates gut dysbiosis and valeric acid increase to improve neuroplasticity and cognitive function after surgery in mice. Molecular psychiatry. 2021 12; 26(12):7167-7187. doi: 10.1038/s41380-021-01291-y. [PMID: 34663905]
  • Yue Du, Jinxue Wei, Xiao Yang, Yikai Dou, Liansheng Zhao, Xueyu Qi, Xueli Yu, Wanjun Guo, Qiang Wang, Wei Deng, Minli Li, Dongtao Lin, Tao Li, Xiaohong Ma. Plasma metabolites were associated with spatial working memory in major depressive disorder. Medicine. 2021 Feb; 100(8):e24581. doi: 10.1097/md.0000000000024581. [PMID: 33663067]
  • Fengqin Shi, Ya Li, Rui Han, Alan Fu, Ronghua Wang, Olivia Nusbaum, Qin Qin, Xinyi Chen, Li Hou, Yong Zhu. Valerian and valeric acid inhibit growth of breast cancer cells possibly by mediating epigenetic modifications. Scientific reports. 2021 01; 11(1):2519. doi: 10.1038/s41598-021-81620-x. [PMID: 33510252]
  • Maksymilian Onyszkiewicz, Marta Gawrys-Kopczynska, Maciej Sałagaj, Marta Aleksandrowicz, Aneta Sawicka, Ewa Koźniewska, Emilia Samborowska, Marcin Ufnal. Valeric acid lowers arterial blood pressure in rats. European journal of pharmacology. 2020 Jun; 877(?):173086. doi: 10.1016/j.ejphar.2020.173086. [PMID: 32234527]
  • Giovanna Baron, Alessandra Altomare, Luca Regazzoni, Laura Fumagalli, Angelica Artasensi, Elisa Borghi, Emerenziana Ottaviano, Cristian Del Bo, Patrizia Riso, Pietro Allegrini, Giovanna Petrangolini, Paolo Morazzoni, Antonella Riva, Lolita Arnoldi, Marina Carini, Giancarlo Aldini. Profiling Vaccinium macrocarpon components and metabolites in human urine and the urine ex-vivo effect on Candida albicans adhesion and biofilm-formation. Biochemical pharmacology. 2020 03; 173(?):113726. doi: 10.1016/j.bcp.2019.113726. [PMID: 31778647]
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  • Jeremy Carlier, Ariane Wohlfarth, Bonita D Salmeron, Karl B Scheidweiler, Marilyn A Huestis, Michael H Baumann. Pharmacodynamic Effects, Pharmacokinetics, and Metabolism of the Synthetic Cannabinoid AM-2201 in Male Rats. The Journal of pharmacology and experimental therapeutics. 2018 12; 367(3):543-550. doi: 10.1124/jpet.118.250530. [PMID: 30266766]
  • Santanu Deb-Choudhury, Emma N Bermingham, Wayne Young, Matthew P G Barnett, Scott O Knowles, Duane Harland, Stefan Clerens, Jolon M Dyer. The effects of a wool hydrolysate on short-chain fatty acid production and fecal microbial composition in the domestic cat (Felis catus). Food & function. 2018 Aug; 9(8):4107-4121. doi: 10.1039/c7fo02004j. [PMID: 30039140]
  • Shota Yoshikawa, Ryosuke Araoka, Yu Kajihara, Toshiyuki Ito, Hirokuni Miyamoto, Hiroaki Kodama. Valerate production by Megasphaera elsdenii isolated from pig feces. Journal of bioscience and bioengineering. 2018 May; 125(5):519-524. doi: 10.1016/j.jbiosc.2017.12.016. [PMID: 29331526]
  • Adil Jadoon, Anna V Mathew, Jaeman Byun, Crystal A Gadegbeku, Debbie S Gipson, Farsad Afshinnia, Subramaniam Pennathur. Gut Microbial Product Predicts Cardiovascular Risk in Chronic Kidney Disease Patients. American journal of nephrology. 2018; 48(4):269-277. doi: 10.1159/000493862. [PMID: 30326477]
  • Lisa R Hoving, Marieke Heijink, Vanessa van Harmelen, Ko Willems van Dijk, Martin Giera. GC-MS Analysis of Short-Chain Fatty Acids in Feces, Cecum Content, and Blood Samples. Methods in molecular biology (Clifton, N.J.). 2018; 1730(?):247-256. doi: 10.1007/978-1-4939-7592-1_17. [PMID: 29363078]
  • Melanie Hutter, Sebastian Broecker, Stefan Kneisel, Florian Franz, Simon D Brandt, Volker Auwarter. Metabolism of Nine Synthetic Cannabinoid Receptor Agonists Encountered in Clinical Casework: Major in vivo Phase I Metabolites of AM-694, AM-2201, JWH-007, JWH-019, JWH-203, JWH-307, MAM-2201, UR-144 and XLR-11 in Human Urine Using LC-MS/MS. Current pharmaceutical biotechnology. 2018; 19(2):144-162. doi: 10.2174/1389201019666180509163114. [PMID: 29745330]
  • John F O'Sullivan, Jordan E Morningstar, Qiong Yang, Baohui Zheng, Yan Gao, Sarah Jeanfavre, Justin Scott, Celine Fernandez, Hui Zheng, Sean O'Connor, Paul Cohen, Ramachandran S Vasan, Michelle T Long, James G Wilson, Olle Melander, Thomas J Wang, Caroline Fox, Randall T Peterson, Clary B Clish, Kathleen E Corey, Robert E Gerszten. Dimethylguanidino valeric acid is a marker of liver fat and predicts diabetes. The Journal of clinical investigation. 2017 12; 127(12):4394-4402. doi: 10.1172/jci95995. [PMID: 29083323]
  • Gregorio Peron, Stefania Sut, Anna Pellizzaro, Paola Brun, Dario Voinovich, Ignazio Castagliuolo, Stefano Dall'Acqua. The antiadhesive activity of cranberry phytocomplex studied by metabolomics: Intestinal PAC-A metabolites but not intact PAC-A are identified as markers in active urines against uropathogenic Escherichia coli. Fitoterapia. 2017 Oct; 122(?):67-75. doi: 10.1016/j.fitote.2017.08.014. [PMID: 28844930]
  • James Chun Yip Chan, Dorinda Yan Qin Kioh, Gaik Chin Yap, Bee Wah Lee, Eric Chun Yong Chan. A novel LCMSMS method for quantitative measurement of short-chain fatty acids in human stool derivatized with 12C- and 13C-labelled aniline. Journal of pharmaceutical and biomedical analysis. 2017 May; 138(?):43-53. doi: 10.1016/j.jpba.2017.01.044. [PMID: 28178633]
  • Yu V Holota, O O Holubenko, A M Ostapchuk, T M Serhiychuk, L V Zakordonets, G M Tolstanova. Fecal short-chain fatty acids at different time points after ceftriaxone administration in rats. Ukrainian biochemical journal. 2017 Jan; 89(1):50-8. doi: 10.15407/ubj89.01.050. [PMID: 29236389]
  • Benjamin Kalbe, Marian Schlimm, Sebastian Wojcik, Stathis Philippou, Désirée Maßberg, Fabian Jansen, Paul Scholz, Hermann Luebbert, Burkhard Ubrig, Sabrina Osterloh, Hanns Hatt. Olfactory signaling components and olfactory receptors are expressed in tubule cells of the human kidney. Archives of biochemistry and biophysics. 2016 Nov; 610(?):8-15. doi: 10.1016/j.abb.2016.09.017. [PMID: 27693121]
  • Jeremy Carlier, Karl B Scheidweiler, Ariane Wohlfarth, Bonita D Salmeron, Michael H Baumann, Marilyn A Huestis. Quantification of [1-(5-fluoropentyl)-1H-indol-3-yl](naphthalene-1-yl)methanone (AM-2201) and 13 metabolites in human and rat plasma by liquid chromatography-tandem mass spectrometry. Journal of chromatography. A. 2016 Jun; 1451(?):97-106. doi: 10.1016/j.chroma.2016.05.020. [PMID: 27208987]
  • Birgitte Moen, Ingunn Berget, Ida Rud, Anastasia S Hole, Nils Petter Kjos, Stefan Sahlstrøm. Extrusion of barley and oat influence the fecal microbiota and SCFA profile of growing pigs. Food & function. 2016 Feb; 7(2):1024-32. doi: 10.1039/c5fo01452b. [PMID: 26758043]
  • Alberto Caminero, Esther Nistal, Alexandra R Herrán, Jénifer Pérez-Andrés, Miguel A Ferrero, Luis Vaquero Ayala, Santiago Vivas, José M G Ruiz de Morales, Silvia M Albillos, Francisco Javier Casqueiro. Differences in gluten metabolism among healthy volunteers, coeliac disease patients and first-degree relatives. The British journal of nutrition. 2015 Oct; 114(8):1157-67. doi: 10.1017/s0007114515002767. [PMID: 26428276]
  • Sang-Oh Park, Byung-Sung Park. Bifidogenic effect of grain larvae extract on serum lipid, glucose and intestinal microflora in rats. Journal of biosciences. 2015 Sep; 40(3):513-20. doi: 10.1007/s12038-015-9540-6. [PMID: 26333397]
  • Yeter Erol Öztürk, Oya Yeter, Buket Alpertunga. Validation of JWH-018 and its metabolites in blood and urine by UPLC-MS/MS: Monitoring in forensic cases. Forensic science international. 2015 Mar; 248(?):88-93. doi: 10.1016/j.forsciint.2014.12.029. [PMID: 25616218]
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  • Akiko Takagaki, Yuko Kato, Fumio Nanjo. Isolation and characterization of rat intestinal bacteria involved in biotransformation of (-)-epigallocatechin. Archives of microbiology. 2014 Oct; 196(10):681-95. doi: 10.1007/s00203-014-1006-y. [PMID: 24947740]
  • Karolina Varga, Katalin Pászty, Rita Padányi, Luca Hegedűs, Jean-Philippe Brouland, Béla Papp, Agnes Enyedi. Histone deacetylase inhibitor- and PMA-induced upregulation of PMCA4b enhances Ca2+ clearance from MCF-7 breast cancer cells. Cell calcium. 2014 Feb; 55(2):78-92. doi: 10.1016/j.ceca.2013.12.003. [PMID: 24439526]
  • Cyren M Rico, Maria Isabel Morales, Ana Cecilia Barrios, Ricardo McCreary, Jie Hong, Wen-Yee Lee, Jose Nunez, Jose R Peralta-Videa, Jorge L Gardea-Torresdey. Effect of cerium oxide nanoparticles on the quality of rice ( Oryza sativa L.) grains. Journal of agricultural and food chemistry. 2013 Nov; 61(47):11278-85. doi: 10.1021/jf404046v. [PMID: 24188281]
  • Elisa Brasili, Elena Mengheri, Alberta Tomassini, Giorgio Capuani, Marianna Roselli, Alberto Finamore, Fabio Sciubba, Federico Marini, Alfredo Miccheli. Lactobacillus acidophilus La5 and Bifidobacterium lactis Bb12 induce different age-related metabolic profiles revealed by 1H-NMR spectroscopy in urine and feces of mice. The Journal of nutrition. 2013 Oct; 143(10):1549-57. doi: 10.3945/jn.113.177105. [PMID: 23946343]
  • Moonhee Jang, Wonkyung Yang, Hyeyoung Choi, Hyejin Chang, Sooyeun Lee, Eunmi Kim, Heesun Chung. Monitoring of urinary metabolites of JWH-018 and JWH-073 in legal cases. Forensic science international. 2013 Sep; 231(1-3):13-9. doi: 10.1016/j.forsciint.2013.03.053. [PMID: 23890611]
  • Beth Emerson, Bill Durham, Jennifer Gidden, Jackson O Lay. Gas chromatography-mass spectrometry of JWH-018 metabolites in urine samples with direct comparison to analytical standards. Forensic science international. 2013 Jun; 229(1-3):1-6. doi: 10.1016/j.forsciint.2013.03.006. [PMID: 23683902]
  • Greta Jakobsdottir, Jens Holst Bjerregaard, Hanne Skovbjerg, Margareta Nyman. Fasting serum concentration of short-chain fatty acids in subjects with microscopic colitis and celiac disease: no difference compared with controls, but between genders. Scandinavian journal of gastroenterology. 2013 Jun; 48(6):696-701. doi: 10.3109/00365521.2013.786128. [PMID: 23600961]
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