trans-Vaccenic acid - ≥99% , CAS No.693-72-1

CAS: 693-72-1 Cat. No.: V115173 Peso molecular: 282.46 Número EC: 211-758-9

GRADE & PURITY ≥99%

Synonyms

trans-octadec-11-enoic acid | 11-Octadecenoic acid, (11E)- | trans-11-Octadecenoic acid | 11-Octadecenoic acid | 11E-octadecenoic acid | octadec-11-enoic acid | VACCENIC ACID | (E)-Octadec-11-enoic acid | 11-trans-Octadecenoic acid

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

A naturally occurring trans fat.

Specifications

Sinónimos

trans-octadec-11-enoic acid | 11-Octadecenoic acid, (11E)- | trans-11-Octadecenoic acid | 11-Octadecenoic acid | 11E-octadecenoic acid | octadec-11-enoic acid | VACCENIC ACID | (E)-Octadec-11-enoic acid | 11-trans-Octadecenoic acid

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Isomer of oleic acid. Down-regulates expression of Bcl-2 and procaspase-9 to inhibit proliferation. Anti-carcinogenic potential. Active in vitro and in vivo .

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCC=CCCCCCCCCCC(=O)O
• IUPAC Name: (E)-octadec-11-enoic acid
• InChIKey: UWHZIFQPPBDJPM-BQYQJAHWSA-N
• INCHI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+
• Isómeros SMILES: CCCCCC/C=C/CCCCCCCCCC(=O)O
• WGK Alemania: 1
• Peso molecular: 282.46
• Reaxy-Rn: 1726564
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726564&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Unsaturated 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
• Descripción: 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: Unsaturated 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (partly miscible), methanol, and acetone.
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113°C
• Peso molecular: 282.500 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 282.256 Da
• Monoisotopic Mass: 282.256 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 234.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referencias

1. Jie Cheng, Yuling Li, Yunjun Wang, Jing Zhang, Tuanqi Sun, Li Zhang, Yinlong Guo.  (2022)  Quaterization Derivatization with Bis(Pyridine) Iodine Tetrafluoroboride: High-Sensitivity Mass Spectrometric Analysis of Unsaturated Fatty Acids in Human Thyroid Tissues.  ANALYTICAL CHEMISTRY,      [PMID:35916214] [10.1021/acs.analchem.2c01519]

2. Yumeng Yang, Dan Gao, Rui Qian, Yuyang Jiang.  (2020)  Polydopamine-Modified TS-1 Zeolite Framework Nanoparticles as a Matrix for the Analysis of Small Molecules by MALDI-TOF MS.  ACS Omega,      [PMID:32832749] [10.1021/acsomega.0c00992]