(S)-2-Methylbutanal (BioDeep_00000019403)
Main id: BioDeep_00000004230
Secondary id: BioDeep_00001867861
human metabolite Endogenous BioNovoGene_Lab2019
代谢物信息卡片
化学式: C5H10O (86.0732)
中文名称: 2-甲基丁醛
谱图信息:
最多检出来源 Viridiplantae(plant) 11.33%
分子结构信息
SMILES: CCC(C)C=O
InChI: InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
描述信息
(S)-2-Methylbutanal is found in coffee and coffee products. (S)-2-Methylbutanal is found in tea, coffee, peppermint oil (Mentha piperita
同义名列表
31 个代谢物同义名
(S)-alpha-Methylbutyric aldehyde; (2S)-2-Methylbutyric aldehyde; (S)-a-Methylbutyric aldehyde; (S)-2-Methylbutyric aldehyde; (S)-Α-methylbutyric aldehyde; alpha-Methylbutyric aldehyde; (2S)-2-Methylbutyraldehyde; (S)-2-Methylbutyraldehyde; alpha-Methylbutyraldehyde; (+)-2-Methylbutyraldehyde; (±)-2-methylbutyraldehyde; Α-methylbutyric aldehyde; 2-Methylbutyric aldehyde; (S)-(+)-2-Methylbutanal; alpha-Methyl-N-butanal; (+)(S)-2-Methylbutanal; Α-methylbutyraldehyde; 2-Methylbutyraldehyde; (RS)-2-Methylbutanal; (2S)-2-Methylbutanal; (S)-2-Methylbutanal; alpha-Methylbutanal; (+)-2-Methylbutanal; (±)-2-methylbutanal; Α-methyl-N-butanal; Α-methylbutanal; 2-Ethylpropanal; 2-Methylbutanal; 2-Formylbutane; 2-Methylbutanal; 2-Methylbutyraldehyde
数据库引用编号
17 个数据库交叉引用编号
- ChEBI: CHEBI:16182
- ChEBI: CHEBI:88414
- KEGG: C02223
- PubChem: 6971249
- PubChem: 7284
- HMDB: HMDB0031525
- ChEMBL: CHEMBL2270060
- foodb: FDB008128
- chemspider: 5342102
- CAS: 1730-97-8
- CAS: 96-17-3
- PMhub: MS000016105
- PubChem: 5288
- NIKKAJI: J35.111C
- RefMet: (S)-2-Methylbutanal
- BioNovoGene_Lab2019: BioNovoGene_Lab2019-485
- KNApSAcK: 16182
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)
7 个相关的物种来源信息
- 4072 - Capsicum annuum: 10.1006/JFCA.1997.0535
- 3649 - Carica papaya: 10.1021/JF00119A021
- 13443 - Coffea arabica: 10.1021/JF60160A010
- 9606 - Homo sapiens: -
- 58860 - Tamarindus indica: 10.1080/10412905.1990.9697860
- 39416 - Tuber melanosporum: 10.1021/JF00077A031
- 4577 - Zea mays: 10.1021/JF60220A012
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
- Ping Yang, Huanlu Song, Yanping Lin, Tianyang Guo, Lijin Wang, Michael Granvogl, Yongquan Xu. Differences of characteristic aroma compounds in Rougui tea leaves with different roasting temperatures analyzed by switchable GC-O-MS and GC × GC-O-MS and sensory evaluation.
Food & function.
2021 Jun; 12(11):4797-4807. doi:
10.1039/d1fo00165e
. [PMID: 33861271] - Isabel Calejo, Nathalie Moreira, Ana Margarida Araújo, Márcia Carvalho, Maria de Lourdes Bastos, Paula Guedes de Pinho. Optimisation and validation of a HS-SPME-GC-IT/MS method for analysis of carbonyl volatile compounds as biomarkers in human urine: Application in a pilot study to discriminate individuals with smoking habits.
Talanta.
2016 Feb; 148(?):486-93. doi:
10.1016/j.talanta.2015.09.070
. [PMID: 26653476] - Michaela Griesser, Georg Weingart, Katharina Schoedl-Hummel, Nora Neumann, Manuel Becker, Kurt Varmuza, Falk Liebner, Rainer Schuhmacher, Astrid Forneck. Severe drought stress is affecting selected primary metabolites, polyphenols, and volatile metabolites in grapevine leaves (Vitis vinifera cv. Pinot noir).
Plant physiology and biochemistry : PPB.
2015 Mar; 88(?):17-26. doi:
10.1016/j.plaphy.2015.01.004
. [PMID: 25602440] - Nanae Ueda, Mikiko Kojima, Katsunori Suzuki, Hitoshi Sakakibara. Agrobacterium tumefaciens tumor morphology root plastid localization and preferential usage of hydroxylated prenyl donor is important for efficient gall formation.
Plant physiology.
2012 Jul; 159(3):1064-72. doi:
10.1104/pp.112.198572
. [PMID: 22589470] - Shigeki Saito, Mohammed Saddik Motawia, Carl Erik Olsen, Birger Lindberg Møller, Søren Bak. Biosynthesis of rhodiocyanosides in Lotus japonicus: rhodiocyanoside A is synthesized from (Z)-2-methylbutanaloxime via 2-methyl-2-butenenitrile.
Phytochemistry.
2012 May; 77(?):260-7. doi:
10.1016/j.phytochem.2012.01.020
. [PMID: 22385904] - Yosuke Hanai, Ken Shimono, Hiroaki Oka, Yoshinobu Baba, Kunio Yamazaki, Gary K Beauchamp. Analysis of volatile organic compounds released from human lung cancer cells and from the urine of tumor-bearing mice.
Cancer cell international.
2012 Feb; 12(1):7. doi:
10.1186/1475-2867-12-7
. [PMID: 22364569] - LingLin Wan, Juan Han, Min Sang, AiFen Li, Hong Wu, ShunJi Yin, ChengWu Zhang. De novo transcriptomic analysis of an oleaginous microalga: pathway description and gene discovery for production of next-generation biofuels.
PloS one.
2012; 7(4):e35142. doi:
10.1371/journal.pone.0035142
. [PMID: 22536352] - Roberto A Barrero, Brett Chapman, Yanfang Yang, Paula Moolhuijzen, Gabriel Keeble-Gagnère, Nan Zhang, Qi Tang, Matthew I Bellgard, Deyou Qiu. De novo assembly of Euphorbia fischeriana root transcriptome identifies prostratin pathway related genes.
BMC genomics.
2011 Dec; 12(?):600. doi:
10.1186/1471-2164-12-600
. [PMID: 22151917] - Ziru Li, Ellen A Ratliff, Thomas D Sharkey. Effect of temperature on postillumination isoprene emission in oak and poplar.
Plant physiology.
2011 Feb; 155(2):1037-46. doi:
10.1104/pp.110.167551
. [PMID: 21177471] - Francesco Emanuelli, Juri Battilana, Laura Costantini, Loïc Le Cunff, Jean-Michel Boursiquot, Patrice This, Maria S Grando. A candidate gene association study on muscat flavor in grapevine (Vitis vinifera L.).
BMC plant biology.
2010 Nov; 10(?):241. doi:
10.1186/1471-2229-10-241
. [PMID: 21062440] - Joanna Rudnicka, Paweł Mochalski, Agapios Agapiou, Milt Statheropoulos, Anton Amann, Bogusław Buszewski. Application of ion mobility spectrometry for the detection of human urine.
Analytical and bioanalytical chemistry.
2010 Nov; 398(5):2031-8. doi:
10.1007/s00216-010-4147-0
. [PMID: 20820995] - Tatsuro Suzuki, Sun-Ju Kim, Yuji Mukasa, Toshikazu Morishita, Takahiro Noda, Shigenobu Takigawa, Naoto Hashimoto, Hiroaki Yamauchi, Chie Matsuura-Endo. Effects of lipase, lipoxygenase, peroxidase and free fatty acids on volatile compound found in boiled buckwheat noodles.
Journal of the science of food and agriculture.
2010 May; 90(7):1232-7. doi:
10.1002/jsfa.3958
. [PMID: 20394006] - Itay Gonda, Einat Bar, Vitaly Portnoy, Shery Lev, Joseph Burger, Arthur A Schaffer, Ya'akov Tadmor, Shimon Gepstein, James J Giovannoni, Nurit Katzir, Efraim Lewinsohn. Branched-chain and aromatic amino acid catabolism into aroma volatiles in Cucumis melo L. fruit.
Journal of experimental botany.
2010 Feb; 61(4):1111-23. doi:
10.1093/jxb/erp390
. [PMID: 20065117] - Tsuyoshi Goto, Nobuyuki Takahashi, Shizuka Hirai, Teruo Kawada. Various Terpenoids Derived from Herbal and Dietary Plants Function as PPAR Modulators and Regulate Carbohydrate and Lipid Metabolism.
PPAR research.
2010; 2010(?):483958. doi:
10.1155/2010/483958
. [PMID: 20613991] - Wei Wang, Yejun Wang, Qing Zhang, Yan Qi, Dianjing Guo. Global characterization of Artemisia annua glandular trichome transcriptome using 454 pyrosequencing.
BMC genomics.
2009 Oct; 10(?):465. doi:
10.1186/1471-2164-10-465
. [PMID: 19818120] - Jian-Zhi Huang, Ting-Chi Cheng, Pei-Jung Wen, Ming-Hsiun Hsieh, Fure-Chyi Chen. Molecular characterization of the Oncidium orchid HDR gene encoding 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate reductase, the last step of the methylerythritol phosphate pathway.
Plant cell reports.
2009 Oct; 28(10):1475-86. doi:
10.1007/s00299-009-0747-6
. [PMID: 19636561] - M A Lloyd, M A Drake, P D Gerard. Flavor variability and flavor stability of U.S.-produced whole milk powder.
Journal of food science.
2009 Sep; 74(7):S334-43. doi:
10.1111/j.1750-3841.2009.01299.x
. [PMID: 19895500] - Yeon-Bok Kim, Sang-Min Kim, Min-Kyoung Kang, Tomohisa Kuzuyama, Jong Kyu Lee, Seung-Chan Park, Sang-Chul Shin, Soo-Un Kim. Regulation of resin acid synthesis in Pinus densiflora by differential transcription of genes encoding multiple 1-deoxy-D-xylulose 5-phosphate synthase and 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate reductase genes.
Tree physiology.
2009 May; 29(5):737-49. doi:
10.1093/treephys/tpp002
. [PMID: 19203978] - Sandrine Mathieu, Valeriano Dal Cin, Zhangjun Fei, Hua Li, Peter Bliss, Mark G Taylor, Harry J Klee, Denise M Tieman. Flavour compounds in tomato fruits: identification of loci and potential pathways affecting volatile composition.
Journal of experimental botany.
2009; 60(1):325-37. doi:
10.1093/jxb/ern294
. [PMID: 19088332] - Jetske G de Boer, Cornelis A Hordijk, Maarten A Posthumus, Marcel Dicke. Prey and non-prey arthropods sharing a host plant: effects on induced volatile emission and predator attraction.
Journal of chemical ecology.
2008 Mar; 34(3):281-90. doi:
10.1007/s10886-007-9405-z
. [PMID: 18185960] - Qian Wang, Yan Pi, Rong Hou, Keji Jiang, Zhuoshi Huang, Ming-Shiun Hsieh, Xiaofen Sun, Kexuan Tang. Molecular cloning and characterization of 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate reductase (CaHDR) from Camptotheca acuminata and its functional identification in Escherichia coli.
BMB reports.
2008 Feb; 41(2):112-8. doi:
10.5483/bmbrep.2008.41.2.112
. [PMID: 18315946] - H H M Fadel, M A Abdel Mageed, S N Lotfy. Quality and flavour stability of coffee substitute prepared by extrusion of wheat germ and chicory roots.
Amino acids.
2008 Feb; 34(2):307-14. doi:
10.1007/s00726-006-0434-7
. [PMID: 17136511] - Sang-Min Kim, Tomohisa Kuzuyama, Akio Kobayashi, Tomoki Sando, Yung-Jin Chang, Soo-Un Kim. 1-Hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate reductase (IDS) is encoded by multicopy genes in gymnosperms Ginkgo biloba and Pinus taeda.
Planta.
2008 Jan; 227(2):287-98. doi:
10.1007/s00425-007-0616-x
. [PMID: 17763867] - Riccardo Velasco, Andrey Zharkikh, Michela Troggio, Dustin A Cartwright, Alessandro Cestaro, Dmitry Pruss, Massimo Pindo, Lisa M Fitzgerald, Silvia Vezzulli, Julia Reid, Giulia Malacarne, Diana Iliev, Giuseppina Coppola, Bryan Wardell, Diego Micheletti, Teresita Macalma, Marco Facci, Jeff T Mitchell, Michele Perazzolli, Glenn Eldredge, Pamela Gatto, Rozan Oyzerski, Marco Moretto, Natalia Gutin, Marco Stefanini, Yang Chen, Cinzia Segala, Christine Davenport, Lorenzo Demattè, Amy Mraz, Juri Battilana, Keith Stormo, Fabrizio Costa, Quanzhou Tao, Azeddine Si-Ammour, Tim Harkins, Angie Lackey, Clotilde Perbost, Bruce Taillon, Alessandra Stella, Victor Solovyev, Jeffrey A Fawcett, Lieven Sterck, Klaas Vandepoele, Stella M Grando, Stefano Toppo, Claudio Moser, Jerry Lanchbury, Robert Bogden, Mark Skolnick, Vittorio Sgaramella, Satish K Bhatnagar, Paolo Fontana, Alexander Gutin, Yves Van de Peer, Francesco Salamini, Roberto Viola. A high quality draft consensus sequence of the genome of a heterozygous grapevine variety.
PloS one.
2007 Dec; 2(12):e1326. doi:
10.1371/journal.pone.0001326
. [PMID: 18094749] - Moustapha Bah, Lilia Chérigo, Alexandre T Cardoso Taketa, Mabel Fragoso-Serrano, Gerald B Hammond, Rogelio Pereda-Miranda. Intrapilosins I-VII, pentasaccharides from the seeds of Ipomoea intrapilosa.
Journal of natural products.
2007 Jul; 70(7):1153-7. doi:
10.1021/np0701529
. [PMID: 17567071] - Yasuhiro Maeda, Tetsuya Ito, Atsuko Suzuki, Yukihisa Kurono, Akihito Ueta, Kyoko Yokoi, Satoshi Sumi, Hajime Togari, Naruji Sugiyama. Simultaneous quantification of acylcarnitine isomers containing dicarboxylic acylcarnitines in human serum and urine by high-performance liquid chromatography/electrospray ionization tandem mass spectrometry.
Rapid communications in mass spectrometry : RCM.
2007; 21(5):799-806. doi:
10.1002/rcm.2905
. [PMID: 17279485] - Jia-Ning Wei, Junwei Zhu, Le Kang. Volatiles released from bean plants in response to agromyzid flies.
Planta.
2006 Jul; 224(2):279-87. doi:
10.1007/s00425-005-0212-x
. [PMID: 16404576] - Jia-Ning Wei, Le Kang. Electrophysiological and behavioral responses of a parasitic wasp to plant volatiles induced by two leaf miner species.
Chemical senses.
2006 Jun; 31(5):467-77. doi:
10.1093/chemse/bjj051
. [PMID: 16621971] - Shahram Dokhani, Tony Cottrell, Jamaledin Khajeddin, G Mazza. Analysis of aroma and phenolic components of selected Achillea species.
Plant foods for human nutrition (Dordrecht, Netherlands).
2005 Jun; 60(2):55-62. doi:
10.1007/s11130-005-5100-9
. [PMID: 16021832] - María Rosario Ramírez, Mario Estévez, David Morcuende, Ramón Cava. Effect of the type of frying culinary fat on volatile compounds isolated in fried pork loin chops by using SPME-GC-MS.
Journal of agricultural and food chemistry.
2004 Dec; 52(25):7637-43. doi:
10.1021/jf049207s
. [PMID: 15675815] - I L Bykov. [Effect of L-carnitine on metabolic disorders in rats with experimental acyl-CoA dehydrogenase deficiency].
Eksperimental'naia i klinicheskaia farmakologiia.
2004 Nov; 67(6):48-52. doi:
NULL
. [PMID: 15707016] - María de la Luz Gutiérrez-Nava, C Stewart Gillmor, Luis F Jiménez, Arturo Guevara-García, Patricia León. CHLOROPLAST BIOGENESIS genes act cell and noncell autonomously in early chloroplast development.
Plant physiology.
2004 May; 135(1):471-82. doi:
10.1104/pp.103.036996
. [PMID: 15133149] - S Craig Duckham, Andrew T Dodson, Jokie Bakker, Jennifer M Ames. Effect of cultivar and storage time on the volatile flavor components of baked potato.
Journal of agricultural and food chemistry.
2002 Sep; 50(20):5640-8. doi:
10.1021/jf011326+
. [PMID: 12236691] - James R Kastner, K C Das. Wet scrubber analysis of volatile organic compound removal in the rendering industry.
Journal of the Air & Waste Management Association (1995).
2002 Apr; 52(4):459-69. doi:
10.1080/10473289.2002.10470800
. [PMID: 12002191] - M Du, S J Hur, K C Nam, H Ismail, D U Ahn. Volatiles, color, and lipid oxidation of broiler breast fillets irradiated before and after cooking.
Poultry science.
2001 Dec; 80(12):1748-53. doi:
10.1093/ps/80.12.1748
. [PMID: 11771891] - . .
.
. doi:
. [PMID: 21045121]