Octanal (BioDeep_00000001028)

 

Secondary id: BioDeep_00000406240

human metabolite PANOMIX_OTCML-2023 Endogenous Cytotoxicity natural product


代谢物信息卡片


InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H

化学式: C8H16O (128.1201)
中文名称: 1-辛醛, 辛醛, 正辛醛
谱图信息: 最多检出来源 Homo sapiens(otcml) 33.38%

分子结构信息

SMILES: CCCCCCCC([H])=O
InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3

描述信息

Octanal, also known as 1-caprylaldehyde or aldehyde C-8, belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Thus, octanal is considered to be a fatty aldehyde lipid molecule. A saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). Octanal is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Octanal exists in all eukaryotes, ranging from yeast to humans. Octanal is an aldehydic, citrus, and fat tasting compound. Octanal is commonly found in high concentrations in limes, caraway, and mandarin orange (clementine, tangerine) and in lower concentrations in wild carrots and carrots. Octanal has also been detected, but not quantified in several different foods, such as cherry tomato, brussel sprouts, alaska wild rhubarbs, sweet marjorams, and sunflowers.
N-octylaldehyde is a colorless liquids with a strong fruity odor. Less dense than water and insoluble in water. Flash points 125 °F. Used in making perfumes and flavorings.
Octanal is a saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). It has a role as a plant metabolite. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde.
Octanal is a natural product found in Eupatorium cannabinum, Thymus zygioides, and other organisms with data available.
Octanal is a metabolite found in or produced by Saccharomyces cerevisiae.
Isolated from various plant oils especies Citrus subspeciesand is also present in kumquat peel oil, cardamom, coriander, caraway and other herbs. Flavouring agent, used in artificial citrus formulations
A saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid).
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents
Octanal is an aromatic aldehyde, with antioxidant and antimicrobial activities. Octanal shows cytotoxicity against Hela cells[1].
Octanal is an aromatic aldehyde, with antioxidant and antimicrobial activities. Octanal shows cytotoxicity against Hela cells[1].

同义名列表

57 个代谢物同义名

InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H; 4-01-00-03337 (Beilstein Handbook Reference); Octanal, natural, >=95\\%, FCC, FG; Octanal, analytical standard; Octanal, >=95\\%, FCC, FG; OCTANAL (ALDEHYDE C-8); CAPRYLIC ALDEHYDE [MI]; OCTYLALDEHYDE [HSDB]; Octanal (natural); caprylic aldehyde; Octanoic aldehyde; n-Octyl aldehyde; n-Caprylaldehyde; N-OCTANAL [FHFI]; 1-Caprylaldehyde; n-octylaldehyde; 1-Octylaldehyde; Albumin tannate; Capryl aldehyde; n-Octanaldehyde; Octyl aldehydes; Octanal, tech.; Caprylaldehyde; Octyl aldehyde; n-Octaldehyde; Caprylaldehyd; 1-Octaldehyde; Octanal, 99\\%; OCTANAL [FCC]; Octanaldehyde; OCTYLALDEHYDE; Kaprylaldehyd; ALDEHIDO C-8; Octylaldehyd; Tox21_300337; Oktylaldehyd; Aldehyde C-8; Tox21_201415; C-8 aldehyde; Antifoam-LF; Aldehyde C8; octan-8-one; octan-1-one; Octaldehyde; Octan-1-al; n -octanal; 1-octanal; AI3-03961; n-Octanal; n-Octylal; WLN: VH7; FAL 8:0; Octanal; Oktanal; OYA; 1-Octanal; Octanal



数据库引用编号

26 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)

207 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 8 ADH5, ALDH1A1, ALDH3A1, CSP1, MYLK, NLRP3, PQBP1, SSX2IP
Nucleus 6 CSP1, ERH, FOS, NLRP3, PQBP1, SSX2IP
cytosol 10 ADH5, ALDH1A1, ALDH3A1, FOS, GPT, GSR, LIPE, MB, MYLK, NLRP3
nuclear body 1 PQBP1
nucleoplasm 2 FOS, PQBP1
RNA polymerase II transcription regulator complex 1 FOS
Cell membrane 3 GPRC5A, LIPE, OR6A2
Cleavage furrow 1 MYLK
lamellipodium 1 MYLK
Cell projection, axon 1 ALDH1A1
Cytoplasmic granule 1 PQBP1
Multi-pass membrane protein 3 GPRC5A, OR6A2, RHO
Golgi apparatus membrane 1 NLRP3
Synapse 2 ALDH1A1, MYLK
cell surface 1 TNFRSF10B
Golgi apparatus 2 ATRN, RHO
Golgi membrane 2 NLRP3, RHO
Cytoplasm, cytosol 3 ALDH1A1, LIPE, NLRP3
plasma membrane 7 ALDH3A1, ATRN, GPRC5A, MYLK, OR6A2, RHO, TNFRSF10B
Membrane 5 LIPE, NLRP3, OR6A2, RHO, TNFRSF10B
axon 1 ALDH1A1
caveola 1 LIPE
extracellular exosome 8 ADH5, ALDH1A1, ALDH2, ATRN, GPRC5A, GPT, GSR, MB
endoplasmic reticulum 3 ALDH3A1, FOS, NLRP3
extracellular space 2 ALDH3A1, ATRN
adherens junction 1 SSX2IP
mitochondrion 4 ADH5, ALDH2, GSR, NLRP3
protein-containing complex 1 SSX2IP
intracellular membrane-bounded organelle 1 GPRC5A
Single-pass type I membrane protein 1 ATRN
Secreted 1 NLRP3
extracellular region 1 NLRP3
[Isoform 2]: Secreted 1 ATRN
Mitochondrion matrix 1 ALDH2
mitochondrial matrix 2 ALDH2, GSR
centriolar satellite 1 SSX2IP
ciliary membrane 1 RHO
photoreceptor inner segment 1 RHO
photoreceptor outer segment 1 RHO
external side of plasma membrane 1 GSR
actin cytoskeleton 1 MYLK
nucleolus 1 GPRC5A
midbody 1 ERH
sarcoplasm 1 MB
cell-cell junction 1 RHO
vesicle 1 GPRC5A
Cell projection, lamellipodium 1 MYLK
Cell junction, adherens junction 1 SSX2IP
nuclear speck 1 PQBP1
Cytoplasm, cytoskeleton, microtubule organizing center 1 NLRP3
Inflammasome 1 NLRP3
interphase microtubule organizing center 1 NLRP3
NLRP3 inflammasome complex 1 NLRP3
receptor complex 1 GPRC5A
ciliary basal body 1 SSX2IP
chromatin 1 FOS
cell leading edge 1 SSX2IP
Cytoplasm, cytoskeleton, cilium basal body 1 SSX2IP
Cytoplasm, cytoskeleton, microtubule organizing center, centrosome, centriolar satellite 1 SSX2IP
Cell projection, cilium, photoreceptor outer segment 1 RHO
sperm midpiece 1 RHO
[Isoform 3]: Secreted 1 ATRN
Endomembrane system 1 NLRP3
Lipid droplet 1 LIPE
Membrane, caveola 1 LIPE
microtubule organizing center 1 NLRP3
Cytoplasmic vesicle membrane 1 GPRC5A
Golgi-associated vesicle membrane 1 RHO
cytoplasmic stress granule 1 PQBP1
Nucleus speckle 1 PQBP1
stress fiber 1 MYLK
nuclear matrix 1 FOS
Photoreceptor inner segment membrane 1 RHO
methylosome 1 ERH
Cytoplasm, cytoskeleton, stress fiber 1 MYLK
protein-DNA complex 1 FOS
[Isoform 1]: Cell membrane 1 ATRN
photoreceptor outer segment membrane 1 RHO
sperm head plasma membrane 1 RHO
neuronal ribonucleoprotein granule 1 PQBP1
photoreceptor disc membrane 1 RHO
transcription factor AP-1 complex 1 FOS
Cytoplasm, sarcoplasm 1 MB
rod photoreceptor outer segment 1 RHO


文献列表

  • Bin Duan, Yonghua Zhang, Zhao Feng, Zhaoguo Liu, Nengguo Tao. Octanal enhances disease resistance in postharvest citrus fruit by the biosynthesis and metabolism of aromatic amino acids. Pesticide biochemistry and physiology. 2024 Mar; 200(?):105835. doi: 10.1016/j.pestbp.2024.105835. [PMID: 38582597]
  • Jesús Palá-Paúl, María José Pérez-Alonso, Ana C Soria, Joseph J Brophy. Chemical Composition of the Essential Oils of the Iberian Peninsula Endemic Species Eryngium dilatatum Lam. Molecules (Basel, Switzerland). 2024 Jan; 29(3):. doi: 10.3390/molecules29030562. [PMID: 38338307]
  • Djalma Vitorino Costa Filho, Thayse Cavalcante da Rocha, Jéssica Moreira de Carvalho, Leila Moreira de Carvalho, Mércia de Sousa Galvão, Mayka Reghiany Pedrao, Mario Estévez, Marta Suely Madruga. Oxidative stability of white striping chicken breasts: effect of cold storage and heat treatments. Poultry science. 2023 May; 102(8):102826. doi: 10.1016/j.psj.2023.102826. [PMID: 37343347]
  • Marco Orecchioni, Kouji Kobiyama, Holger Winkels, Yanal Ghosheh, Sara McArdle, Zbigniew Mikulski, William B Kiosses, Zhichao Fan, Lai Wen, Yunmin Jung, Payel Roy, Amal J Ali, Yukiko Miyamoto, Matthew Mangan, Jeffrey Makings, Zhihao Wang, Angela Denn, Jenifer Vallejo, Michaela Owens, Christopher P Durant, Simon Braumann, Navid Mader, Lin Li, Hiroaki Matsunami, Lars Eckmann, Eicke Latz, Zeneng Wang, Stanley L Hazen, Klaus Ley. Olfactory receptor 2 in vascular macrophages drives atherosclerosis by NLRP3-dependent IL-1 production. Science (New York, N.Y.). 2022 Jan; 375(6577):214-221. doi: 10.1126/science.abg3067. [PMID: 35025664]
  • 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]
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  • Chia Chun Loi, Graham T Eyres, E John Birch. Effect of milk protein composition on physicochemical properties, creaming stability and volatile profile of a protein-stabilised oil-in-water emulsion. Food research international (Ottawa, Ont.). 2019 06; 120(?):83-91. doi: 10.1016/j.foodres.2019.02.026. [PMID: 31000304]
  • Ye Zhou, Wei Fan, Fuxiang Chu, Chengzhang Wang, Dong Pei. Identification of Volatile Oxidation Compounds as Potential Markers of Walnut Oil Quality. Journal of food science. 2018 Nov; 83(11):2745-2752. doi: 10.1111/1750-3841.14342. [PMID: 30370923]
  • Kourtney Gardner, Jerrad F Legako. Volatile flavor compounds vary by beef product type and degree of doneness. Journal of animal science. 2018 Sep; 96(10):4238-4250. doi: 10.1093/jas/sky287. [PMID: 30053120]
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  • Shiwen Dou, Shengquan Liu, Xiaoyong Xu, Qiuli OuYang, Nengguo Tao. Octanal inhibits spore germination of Penicillium digitatum involving membrane peroxidation. Protoplasma. 2017 Jul; 254(4):1539-1545. doi: 10.1007/s00709-016-1046-z. [PMID: 27853870]
  • Kun Wang, Susan D Arntfield. Probing the molecular forces involved in binding of selected volatile flavour compounds to salt-extracted pea proteins. Food chemistry. 2016 Nov; 211(?):235-42. doi: 10.1016/j.foodchem.2016.05.062. [PMID: 27283627]
  • Gianfranco Anfora, Silvia Vitagliano, Mattias C Larsson, Peter Witzgall, Marco Tasin, Giacinto S Germinara, Antonio De Cristofaro. Disruption of Phthorimaea operculella (Lepidoptera: Gelechiidae) oviposition by the application of host plant volatiles. Pest management science. 2014 Apr; 70(4):628-35. doi: 10.1002/ps.3597. [PMID: 23794160]
  • Nengguo Tao, Lei Jia, Haien Zhou, Xiangli He. Effect of octanal on the mycelial growth of Penicillium italicum and P. digitatum. World journal of microbiology & biotechnology. 2014 Apr; 30(4):1169-75. doi: 10.1007/s11274-013-1539-2. [PMID: 24162951]
  • Kazuaki Kawai, Yuya Kawasaki, Yumiko Kubota, Tomoyuki Kimura, Ryuichi Sawa, Tomonari Matsuda, Hiroshi Kasai. Identification of octenal-related dA and dC adducts formed by reactions with a hemin-ω-6-fat peroxidation model system. Chemical research in toxicology. 2013 Oct; 26(10):1554-60. doi: 10.1021/tx400245a. [PMID: 24032558]
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  • Kehai Liu, Qiulin Chen, Yanjun Liu, Xiaoyan Zhou, Xichang Wang. Isolation and biological activities of decanal, linalool, valencene, and octanal from sweet orange oil. Journal of food science. 2012 Nov; 77(11):C1156-61. doi: 10.1111/j.1750-3841.2012.02924.x. [PMID: 23106968]
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  • Jiao Yin, Honglin Feng, Hongyan Sun, Jinghui Xi, Yazhong Cao, Kebin Li. Functional analysis of general odorant binding protein 2 from the meadow moth, Loxostege sticticalis L. (Lepidoptera: Pyralidae). PloS one. 2012; 7(3):e33589. doi: 10.1371/journal.pone.0033589. [PMID: 22479417]
  • Munetsugu Hara, Yoshihiro Nishi, Yushiro Yamashita, Junko Yoh, Satoru Takahashi, Shin-Ichiro Nagamitsu, Tatsuyuki Kakuma, Hiroshi Hosoda, Kenji Kangawa, Masayasu Kojima, Toyojiro Matsuishi. Ghrelin levels are reduced in Rett syndrome patients with eating difficulties. International journal of developmental neuroscience : the official journal of the International Society for Developmental Neuroscience. 2011 Dec; 29(8):899-902. doi: 10.1016/j.ijdevneu.2011.07.003. [PMID: 21782925]
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  • Naomi Morozumi, Takeshi Hanada, Hiromi Habara, Akira Yamaki, Mayumi Furuya, Takashi Nakatsuka, Norio Inomata, Yoshiharu Minamitake, Kazuhiro Ohsuye, Kenji Kangawa. The role of C-terminal part of ghrelin in pharmacokinetic profile and biological activity in rats. Peptides. 2011 May; 32(5):1001-7. doi: 10.1016/j.peptides.2011.01.021. [PMID: 21291937]
  • Alicia Olivares, Kseniya Dryahina, José Luis Navarro, David Smith, Patrik Spanĕl, Mónica Flores. SPME-GC-MS versus Selected Ion Flow Tube Mass Spectrometry (SIFT-MS) analyses for the study of volatile compound generation and oxidation status during dry fermented sausage processing. Journal of agricultural and food chemistry. 2011 Mar; 59(5):1931-8. doi: 10.1021/jf104281a. [PMID: 21294565]
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