3-hydroxyoctanoic acid - Moligand™ , Agonist of HCA 3 receptor, CAS No.33796-86-0, Agonist of HCA 3 receptor

CAS: 33796-86-0 Cat. No.: H607160 분자식: C₈H₁₆O₃ 분자량: 160.21 EC 번호: 826-660-7

GRADE & PURITY Moligand™

Synonyms

3-OH-octanoic acid | LMFA01050433 | (S)-3-hydroxyoctanoic acid | 3-Hydroxycaprylate | (S)-beta-hydroxycaprylic acid | (S)-beta-OH-caprylic acid | KJR5TU7HW6 | UNII-KJR5TU7HW6 | 3-Hydroxyoctanoic acid, (+)- | 3-Hydroxyoctanoic acid, (S)- | (S)-beta-OH-octa

Storage

Room temperature

Specifications

동의어

3-OH-octanoic acid | LMFA01050433 | (S)-3-hydroxyoctanoic acid | 3-Hydroxycaprylate | (S)-beta-hydroxycaprylic acid | (S)-beta-OH-caprylic acid | KJR5TU7HW6 | UNII-KJR5TU7HW6 | 3-Hydroxyoctanoic acid, (+)- | 3-Hydroxyoctanoic acid, (S)- | (S)-beta-OH-octa

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Agonist of HCA 3 receptor

이름과 식별자

• 정식 스마일: CCCCCC(CC(=O)O)O
• IUPAC Name: (3S)-3-hydroxyoctanoic acid
• InChIKey: NDPLAKGOSZHTPH-ZETCQYMHSA-N
• INCHI: 1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
• 이성체 SMILES: CCCCC[C@@H](CC(=O)O)O
• 분자량: 160.21
• Reaxy-Rn: 1760767
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760767&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Hydroxy acids and derivatives
      • Subclass Medium-chain hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Hydroxy acids and derivatives
• Subclass: Medium-chain hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain hydroxy acids and derivatives
• Alternative Parents: Medium-chain fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
• External Descriptors: 3-hydroxyoctanoic acid

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

관련 대상(인간)

HCAR3 Tchem Hydroxycarboxylic acid receptor 3 (1 Activities)

Discover Target: HCAR3

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

화학 및 물리적 특성

• 분자량: 160.210 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 160.11 Da
• Monoisotopic Mass: 160.11 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 112.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

자주 묻는 질문

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 33796-86-0, the molecular formula is C8H16O3, and the molecular weight is 160.21 g/mol. InChIKey NDPLAKGOSZHTPH-ZETCQYMHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.