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 分子式: C₁₁H₂₀O₂ 分子量: 186.29 Beilstein Registry Number: 1759287 EC番号: 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

同義語

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

仕様と純度

analytical standard, ≥99.5%(GC)

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

アクションタイプ

AGONIST

作用メカニズム

Agonist of GPR84

純度

≥99.5%(GC)

名前と識別子

パブケム・シド

528770191

カノニカル・スマイル

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)

異性体SMILES

CCCCCCCCCCC(=O)O

WGKドイツ

1

RTECS

YQ2275000

PubChem CID

8180

分子量

186.29

Beilstein

1759287

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

関連ターゲット（非人間）

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)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water, soluble in ethanol and ether.
• 融点（°C）: 28 °C
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 228°C
• 融点（°C）: 28-31°C
• 分子量: 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