16-Hydroxyhexadecanoic Acid - ≥98%(T) , CAS No.506-13-8

CAS: 506-13-8 Cat. No.: H157149 Formula: C₁₆H₃₂O₃ Molecular Weight: 272.43 Beilstein Registry Number: 1784000

GRADE & PURITY ≥98%(T)

Synonyms

16-hydroxy hexadecanoic acid | hydroxy hexadecanoate | hydroxy hexadecanoic acid | NSC-159292 | AS-47314 | F13220 | SY057066 | Hexadecanoic acid, 16-hydroxy- | omega hydroxy hexadecanoic acid | FT-0607251 | .omega.-Hydroxypalmitic acid | 16-Hydoxy hexadec

Storage

Room temperature

Shipped In

Normal

Overview

Usually used in the synthesis of dihydroxypalmitic acids,and also used to induce the expression of two GRP genes of Arabidopsis thaliana, AtGRP5 and AtGRP23.

Specifications

Synonyms

16-hydroxy hexadecanoic acid | hydroxy hexadecanoate | hydroxy hexadecanoic acid | NSC-159292 | AS-47314 | F13220 | SY057066 | Hexadecanoic acid, 16-hydroxy- | omega hydroxy hexadecanoic acid | FT-0607251 | .omega.-Hydroxypalmitic acid | 16-Hydoxy hexadec

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 528754874
• Canonical Smiles: C(CCCCCCCC(=O)O)CCCCCCCO
• IUPAC Name: 16-hydroxyhexadecanoic acid
• InChIKey: UGAGPNKCDRTDHP-UHFFFAOYSA-N
• INCHI: 1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
• Isomeric SMILES: C(CCCCCCCC(=O)O)CCCCCCCO
• WGK Germany: 3
• Molecular Weight: 272.43
• Beilstein: 1784000
• Reaxy-Rn: 1783998
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1783998&ln=

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: Long-chain fatty acids
• Alternative Parents: Hydroxy fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Hydroxy fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Hydroxy 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)

FFAR1 Tchem Free fatty acid receptor 1 (4763 Activities)

Discover Target: FFAR1

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive
• x_melt_point_char: 94-100℃
• Molecular Weight: 272.420 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 272.235 Da
• Monoisotopic Mass: 272.235 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 192.000
• 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