PHENOXYACETIC ACID (BioDeep_00001868024)

Main id: BioDeep_00000003417

 

PANOMIX_OTCML-2023 natural product


代谢物信息卡片


PHENOXYACETIC ACID

化学式: C8H8O3 (152.0473)
中文名称: 苯氧乙酸
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1=CC=C(C=C1)OCC(=O)O
InChI: InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

描述信息

A monocarboxylic acid that is the O-phenyl derivative of glycolic acid. A metabolite of 2-phenoxyethanol, it is used in the manufacture of pharmaceuticals, pesticides, fungicides and dyes.
COVID info from PDB, Protein Data Bank
Corona-virus
Coronavirus
SARS-CoV-2
COVID-19
SARS-CoV
COVID19
SARS2
SARS
Phenoxyacetic acid is an endogenous metabolite.

同义名列表

3 个代谢物同义名

PHENOXYACETIC ACID; Phenoxyacetate; Phenoxyacetic acid



数据库引用编号

13 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)

8 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 6 FTO, GOLGA4, HPGDS, PMP2, PPARG, PPM1G
Golgi apparatus, trans-Golgi network membrane 1 GOLGA4
Peripheral membrane protein 1 CRAT
Endoplasmic reticulum membrane 1 SCD
Nucleus 7 FTO, PMP2, PPARA, PPARD, PPARG, PPM1G, PSIP1
cytosol 8 CRAT, FTO, GOLGA4, GSR, HPGDS, PMP2, PPARG, PSIP1
trans-Golgi network 1 GOLGA4
nucleoplasm 9 ATP2B1, FTO, GOLGA4, HPGDS, PPARA, PPARD, PPARG, PPM1G, PSIP1
RNA polymerase II transcription regulator complex 1 PPARG
Cell membrane 4 ATP2B1, CCKBR, FFAR1, TNF
Lipid-anchor 1 PPM1G
Multi-pass membrane protein 4 ATP2B1, CCKBR, FFAR1, SCD
Golgi apparatus membrane 1 GOLGA4
Synapse 1 ATP2B1
cell surface 1 TNF
glutamatergic synapse 1 ATP2B1
Golgi apparatus 1 GOLGA4
Golgi membrane 2 GOLGA4, INS
mitochondrial inner membrane 1 CRAT
neuronal cell body 1 TNF
presynaptic membrane 1 ATP2B1
plasma membrane 6 ATP2B1, CCKBR, FFAR1, FTO, GOLGA4, TNF
synaptic vesicle membrane 1 ATP2B1
Membrane 4 ATP2B1, CCKBR, PPM1G, SCD
axon 1 CCK
basolateral plasma membrane 1 ATP2B1
extracellular exosome 4 ATP2B1, GOLGA4, GSR, PMP2
endoplasmic reticulum 2 CRAT, SCD
extracellular space 5 CCK, CCL11, GAST, INS, TNF
perinuclear region of cytoplasm 1 PPARG
mitochondrion 2 CRAT, GSR
intracellular membrane-bounded organelle 5 ATP2B1, CCKBR, FTO, HPGDS, PPARG
Secreted 4 CCK, CCL11, GAST, INS
extracellular region 5 CCK, CCL11, GAST, INS, TNF
mitochondrial matrix 1 GSR
Cytoplasmic vesicle, secretory vesicle, synaptic vesicle membrane 1 ATP2B1
external side of plasma membrane 2 GSR, TNF
nucleolus 1 SCD
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
Mitochondrion inner membrane 1 CRAT
Matrix side 1 CRAT
heterochromatin 1 PSIP1
Membrane raft 1 TNF
Peroxisome 1 CRAT
peroxisomal matrix 1 CRAT
lateral plasma membrane 1 ATP2B1
nuclear speck 1 FTO
receptor complex 1 PPARG
chromatin 3 PPARA, PPARD, PPARG
cell projection 1 ATP2B1
phagocytic cup 1 TNF
[Isoform 1]: Mitochondrion 1 CRAT
Basolateral cell membrane 1 ATP2B1
endosome lumen 1 INS
Nucleus speckle 1 FTO
euchromatin 1 PSIP1
Presynaptic cell membrane 1 ATP2B1
myelin sheath 1 PMP2
secretory granule lumen 1 INS
Golgi lumen 1 INS
endoplasmic reticulum lumen 1 INS
transport vesicle 1 INS
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 INS
immunological synapse 1 ATP2B1
nuclear periphery 1 PSIP1
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
photoreceptor ribbon synapse 1 ATP2B1
[Isoform 2]: Peroxisome 1 CRAT
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF


文献列表

  • F Zhang, M J LeBaron, M S Marty. Prediction of tissue and urine concentrations of 2-phenoxyethanol and its metabolite 2-phenoxyacetic acid in rat and human after oral and dermal exposures via GastroPlusTM physiologically based pharmacokinetic modelling. SAR and QSAR in environmental research. 2022 May; 33(5):323-339. doi: 10.1080/1062936x.2022.2049866. [PMID: 35301938]
  • Mihye Kwon, Jung Bae Park, Miwha Kwon, Jinho Song, Chang Su Yeo, Soo Hyeon Bae. Pharmacokinetics of 2-phenoxyethanol and its major metabolite, phenoxyacetic acid, after dermal and inhaled routes of exposure: application to development PBPK model in rats. Archives of toxicology. 2021 06; 95(6):2019-2036. doi: 10.1007/s00204-021-03041-z. [PMID: 33844041]
  • Mark J Henderson, Kathleen A Trychta, Shyh-Ming Yang, Susanne Bäck, Adam Yasgar, Emily S Wires, Carina Danchik, Xiaokang Yan, Hideaki Yano, Lei Shi, Kuo-Jen Wu, Amy Q Wang, Dingyin Tao, Gergely Zahoránszky-Kőhalmi, Xin Hu, Xin Xu, David Maloney, Alexey V Zakharov, Ganesha Rai, Fumihiko Urano, Mikko Airavaara, Oksana Gavrilova, Ajit Jadhav, Yun Wang, Anton Simeonov, Brandon K Harvey. A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. Cell reports. 2021 04; 35(4):109040. doi: 10.1016/j.celrep.2021.109040. [PMID: 33910017]
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  • Anne-Claire Binter, Elise Bannier, Grégory Simon, Dave Saint-Amour, Jean-Christophe Ferré, Christian Barillot, Christine Monfort, Sylvaine Cordier, Cécile Chevrier, Fabienne Pelé. Prenatal exposure to glycol ethers and motor inhibition function evaluated by functional MRI at the age of 10 to 12 years in the PELAGIE mother-child cohort. Environment international. 2019 12; 133(Pt A):105163. doi: 10.1016/j.envint.2019.105163. [PMID: 31518935]
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  • Zheng Li, Chunxia Liu, Jianyong Yang, Jiaqi Zhou, Zhiwen Ye, Dazhi Feng, Na Yue, Jiayi Tong, Wenlong Huang, Hai Qian. Design, synthesis and biological evaluation of novel FFA1/GPR40 agonists: New breakthrough in an old scaffold. European journal of medicinal chemistry. 2019 Oct; 179(?):608-622. doi: 10.1016/j.ejmech.2019.06.087. [PMID: 31279294]
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  • Charline Warembourg, Jérémie Botton, Nathalie Lelong, Florence Rouget, Babak Khoshnood, Florent Le Gléau, Christine Monfort, Laurence Labat, Fabrice Pierre, Barbara Heude, Rémy Slama, Luc Multigner, Marie-Aline Charles, Sylvaine Cordier, Ronan Garlantézec. Prenatal exposure to glycol ethers and cryptorchidism and hypospadias: a nested case-control study. Occupational and environmental medicine. 2018 01; 75(1):59-65. doi: 10.1136/oemed-2017-104391. [PMID: 29055888]
  • Shohei Hayashi, Tomoki Sano, Kousuke Suyama, Kazuhito Itoh. 2,4-Dichlorophenoxyacetic acid (2,4-D)- and 2,4,5-trichlorophenoxyacetic acid (2,4,5-T)-degrading gene cluster in the soybean root-nodulating bacterium Bradyrhizobium elkanii USDA94. Microbiological research. 2016 Jul; 188-189(?):62-71. doi: 10.1016/j.micres.2016.04.014. [PMID: 27296963]
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  • Ronan Garlantézec, Charline Warembourg, Christine Monfort, Laurence Labat, Juha Pulkkinen, Nathalie Bonvallot, Luc Multigner, Cécile Chevrier, Sylvaine Cordier. Urinary glycol ether metabolites in women and time to pregnancy: the PELAGIE cohort. Environmental health perspectives. 2013 Oct; 121(10):1167-73. doi: 10.1289/ehp.1206103. [PMID: 23838187]
  • Guan-Sheng Jiao, Seongjin Kim, Mahtab Moayeri, Devorah Crown, April Thai, Lynne Cregar-Hernandez, Linda McKasson, Banumathi Sankaran, Axel Lehrer, Teri Wong, Lisa Johns, Stephen A Margosiak, Stephen H Leppla, Alan T Johnson. Antidotes to anthrax lethal factor intoxication. Part 3: Evaluation of core structures and further modifications to the C2-side chain. Bioorganic & medicinal chemistry letters. 2012 Mar; 22(6):2242-6. doi: 10.1016/j.bmcl.2012.01.095. [PMID: 22342144]
  • Ronan Garlantézec, Luc Multigner, Laurence Labat, Nathalie Bonvallot, Juha Pulkkinen, Brigitte Dananché, Christine Monfort, Florence Rouget, Sylvaine Cordier. Urinary biomarkers of exposure to glycol ethers and chlorinated solvents during pregnancy: determinants of exposure and comparison with indirect methods of exposure assessment. Occupational and environmental medicine. 2012 Jan; 69(1):62-70. doi: 10.1136/oem.2010.062315. [PMID: 21705463]
  • Joanna Jurewicz, Wojciech Hanke, Wojciech Sobala, Danuta Ligocka. Exposure to phenoxyacetic acid herbicides and predictors of exposure among spouses of farmers. Annals of agricultural and environmental medicine : AAEM. 2012; 19(1):51-6. doi: NULL. [PMID: 22462445]
  • Tânia R Cabrito, Miguel C Teixeira, Ashutosh Singh, Rajendra Prasad, Isabel Sá-Correia. The yeast ABC transporter Pdr18 (ORF YNR070w) controls plasma membrane sterol composition, playing a role in multidrug resistance. The Biochemical journal. 2011 Dec; 440(2):195-202. doi: 10.1042/bj20110876. [PMID: 21831043]
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  • Eliseo Herrero-Hernández, Rita Carabias-Martínez, Encarnacion Rodríguez-Gonzalo. Behavior of phenols and phenoxyacids on a bisphenol-A imprinted polymer. Application for selective solid-phase extraction from water and urine samples. International journal of molecular sciences. 2011; 12(5):3322-39. doi: 10.3390/ijms12053322. [PMID: 21686187]
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