Undecanoic acid - analytical standard, ≥99.5%(GC) , Agonist of GPR84, CAS No.112-37-8, Agonist of GPR84

CAS: 112-37-8 Cat. No.: U109482 Molecular Weight: 186.29 Beilstein Registry Number: 1759287 EC Number: 203-964-2 PubChem CID: 8180

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

75EF58E9-1C6B-4875-8B82-D0B7A10FAEA2 | Tox21_201031 | undecanoate | Undekansaeure | 1-Decanecarboxylic acid | BDBM50511006 | NSC 7885 | CAS-112-37-8 | UNDECANOIC ACID [FHFI] | bmse000563 | BP-27912 | HY-W004282 | Z104473988 | CHEBI:32368 | HMS3740G13 | A8

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

75EF58E9-1C6B-4875-8B82-D0B7A10FAEA2 | Tox21_201031 | undecanoate | Undekansaeure | 1-Decanecarboxylic acid | BDBM50511006 | NSC 7885 | CAS-112-37-8 | UNDECANOIC ACID [FHFI] | bmse000563 | BP-27912 | HY-W004282 | Z104473988 | CHEBI:32368 | HMS3740G13 | A8

Specifications & Purity

analytical standard, ≥99.5%(GC)

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Action Type

AGONIST

Mechanism of action

Agonist of GPR84

Purity

≥99.5%(GC)

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCC(=O)O
• IUPAC Name: undecanoic acid
• InChIKey: ZDPHROOEEOARMN-UHFFFAOYSA-N
• INCHI: 1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
• Isomeric SMILES: CCCCCCCCCCC(=O)O
• WGK Germany: 1
• RTECS: YQ2275000
• PubChem CID: 8180
• Molecular Weight: 186.29
• Beilstein: 1759287

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Straight chain fatty acids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GPR84 Tchem G-protein coupled receptor 84 (0 Activities)

Discover Target: GPR84

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

Bacillus subtilis (32866 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Bursaphelenchus xylophilus (372 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in ethanol and ether.
• Freezing Point(°C): 28 °C
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 228°C
• Melt Point(°C): 28-31°C
• Molecular Weight: 186.290 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 186.162 Da
• Monoisotopic Mass: 186.162 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 121.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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2. Hongbo Yang, Jin Li, Jianfei Mao, Chan Xu, Jieyu Song, Feng Xie.  (2023)  Deep Eutectic Solvent-Based Dispersive Liquid–Liquid Microextraction Coupled with LC-MS/MS for the Analysis of Two Ochratoxins in Capsicum.  MOLECULES,  28  (22): (7634).  [PMID:38005355] [10.3390/molecules28227634]

3. Linlin Wang, Lilong Wang, Cui Cao, Jun Zhao, Chen Song, Zhijie Bao, Chunhong Yan, Shuang Song.  (2023)  Chitosan and its oligosaccharide accelerate colonic motility and reverse serum metabolites in rats after excessive protein consumption.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:37774814] [10.1016/j.ijbiomac.2023.127072]

4. Yannan Chen, Siyuan Fei, Xiaoting Yu, Mingqian Tan.  (2023)  Dandelion (Taraxacum mongolicum) Extract Alleviated H2O2-Induced Oxidative Damage: The Underlying Mechanism Revealed by Metabolomics and Lipidomics.  Foods,  12  (17): (3314).  [PMID:37685246] [10.3390/foods12173314]

5. Zhibo Fu, Hongyang Zhang, Zhijun Zeng, Fanghong Ning, Ziwei Xu, Chenyu Liu, Min Zhang, Ping Hu.  (2022)  A pre-column derivatization high-performance liquid chromatography method for simultaneous determination of short-chain and medium-chain fatty acids in a fecal sample.  JOURNAL OF SEPARATION SCIENCE,  46  (1): (2200671).  [PMID:36285380] [10.1002/jssc.202200671]

6. Cui Cao, Linlin Wang, Chunqing Ai, Guiping Gong, Zhongfu Wang, Linjuan Huang, Shuang Song, Beiwei Zhu.  (2022)  Impact of Lycium barbarum arabinogalactan on the fecal metabolome in a DSS-induced chronic colitis mouse model.  Food & Function,  13  (16): (8703-8716).  [PMID:35912853] [10.1039/D2FO01283A]

7. Xu Jing, Xin Huang, Huihui Wang, Haoyue Xue, Beiqi Wu, Xiaowen Wang, Liyan Jia.  (2021)  Popping candy-assisted dispersive liquid–liquid microextraction for enantioselective determination of prothioconazole and its chiral metabolite in water, beer, Baijiu, and vinegar samples by HPLC.  FOOD CHEMISTRY,      [PMID:33508607] [10.1016/j.foodchem.2021.129147]

8. Ma Xiao-yao, Zhang Man, Fang Ge, Cheng Chuan-jing, Wang Mu-kuo, Han Yi-man, Hou Xiao-tao, Hao Er-wei, Hou Yuan-yuan, Bai Gang.  (2020)  Ursolic acid reduces hepatocellular apoptosis and alleviates alcohol-induced liver injury via irreversible inhibition of CASP3 in vivo.  ACTA PHARMACOLOGICA SINICA,  42  (7): (1101-1110).  [PMID:33028983] [10.1038/s41401-020-00534-y]

9. Ningbo Geng, Yun Luo, Rong Cao, Xiaoyao Song, Fang Li, Feidi Wang, Yufeng Gong, Liguo Xing, Haijun Zhang, Jiping Chen.  (2020)  Effect of short-chain chlorinated paraffins on metabolic profiling of male SD rats.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:33182165] [10.1016/j.scitotenv.2020.141404]

10. Dongmei Li, Xiaokang Na, Haitao Wang, Congcong Wang, Zihan Yuan, Bei-Wei Zhu, Mingqian Tan.  (2020)  The effects of carbon dots produced by the Maillard reaction on the HepG2 cell substance and energy metabolism.  Food & Function,  11  (7): (6487-6495).  [PMID:32628240] [10.1039/D0FO01350A]

11. Keqing Hu, Zongyao Huyan, Shaoxuan Ding, Yaoyao Dong, Xiuzhu Yu.  (2020)  Investigation on food packaging polymers: Effects on vegetable oil oxidation.  FOOD CHEMISTRY,      [PMID:32028201] [10.1016/j.foodchem.2020.126299]

12. Jiaqi Wen, Yunguang Lu, Longyan Shi, Yaling Yang.  (2019)  A novel cloud point extraction based on fatty acid deep eutectic solvent combined with high-performance liquid chromatography for determination of ultraviolet absorbent in food packaging bags.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2019.104466]

13. Zongyao Huyan, Shaoxuan Ding, Xiaohui Mao, Caie Wu, Xiuzhu Yu.  (2019)  Effects of packaging materials on oxidative product formation in vegetable oils: Hydroperoxides and volatiles.  Food Packaging and Shelf Life,      [PMID:] [10.1016/j.fpsl.2019.100328]

14. Dezhi Yang, Yingdong Wang, Jianbo Peng, Chun Xun, Yaling Yang.  (2019)  A green deep eutectic solvents microextraction coupled with acid-base induction for extraction of trace phenolic compounds in large volume water samples.  ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY,      [PMID:31002967] [10.1016/j.ecoenv.2019.04.021]

15. Wang Meng, Jiao Yang, Cheng Chunsheng, Hua Jianhao, Yang Yaling.  (2017)  Nitrogen-doped carbon quantum dots as a fluorescence probe combined with magnetic solid-phase extraction purification for analysis of folic acid in human serum.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  409  (30): (7063-7075).  [PMID:28971257] [10.1007/s00216-017-0665-3]

16. Lu Hu, Huazi Wang, Heng Qian, Chaoran Liu, Runhua Lu, Sanbing Zhang, Wenfeng Zhou, Haixiang Gao, Donghui Xu.  (2016)  Centrifuge-less dispersive liquid-liquid microextraction base on the solidification of switchable solvent for rapid on-site extraction of four pyrethroid insecticides in water samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27771100] [10.1016/j.chroma.2016.10.013]

17. Min Wang, Yajie Yue, Xiaoning Wei, Jinyuan Zhang, Xinyuan Bi, Liyan Jia, Xu Jing.  (2024)  Chitosan-based emulsive liquid-liquid microextraction for the determination of strobilurin fungicides in water samples.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39486720] [10.1016/j.ijbiomac.2024.137136]

18. Cui Cao, Yiping Gao, Feilong Sun, Chunqing Ai, Shuang Song.  (2024)  Lycium barbarum arabinogalactan inhibits Escherichia coli and improves Lactobacillus plantarum growth in a defined microbial model of human gut microbiome.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2024.105168]