cis-Vaccenic acid - analytical standard , CAS No.506-17-2

CAS: 506-17-2 Cat. No.: V115172 Peso molecular: 282.46 Beilstein Registry Number: 1726565 Número EC: 625-972-9

GRADE & PURITY Analytical standard

Synonyms

cis-vaccenic acid | cis-11-Octadecenoic acid | 11Z-Octadecenoic acid | Asclepic acid | UNII-400K7322UW | Vaccenic acid, cis- | (Z)-11-Octadecenoic acid | 400K7322UW | (Z)-octadec-11-enoic acid | VACCENIC ACID | CHEBI:50464 | cis-octadec-11-enoic acid

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

cis-Vaccenic acid belongs to the class of unsaturated fatty acids. It is mostly reported to be produced by many species of heterotrophic bacteria. It also occurs in other marine organisms such as phytoplanktons. It also finds applications as a bacterial biomarker.

Application：

cis-Vaccenic acid may be used as an analytical standard in the following:
Quantification of the analyte and its photodegradation products in marine samples using gas chromatography coupled to electron impact mass spectrometry (GC-EIMS).[1] The photo-oxidation of the lipid components of the two strains of aerobic photoheterotrophic bacteria, Erythrobacter sp. strain NAP1 and Roseobacter-related isolate COL2P is studied and the results obtained after irradiation of axenic and nonaxenic cultures of the diatom, Skeletonema costatum is compared.[
Quantification of the analyte in the methanolic extract of the leaves of Lepidium sativum using gas chromatography coupled to mass spectrometry (GC-MS).
Quantification of the analyte in methanolic extract of Rosmarinus oficinalis leaves using gas chromatography coupled to mass spectrometry and Fourier transform infrared spectroscopy.

Specifications

Sinónimos

cis-vaccenic acid | cis-11-Octadecenoic acid | 11Z-Octadecenoic acid | Asclepic acid | UNII-400K7322UW | Vaccenic acid, cis- | (Z)-11-Octadecenoic acid | 400K7322UW | (Z)-octadec-11-enoic acid | VACCENIC ACID | CHEBI:50464 | cis-octadec-11-enoic acid

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

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

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: CCCCCCC=CCCCCCCCCCC(=O)O
• IUPAC Name: (Z)-octadec-11-enoic acid
• InChIKey: UWHZIFQPPBDJPM-FPLPWBNLSA-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: 3
• Peso molecular: 282.46
• Beilstein: 1726565
• 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

Objetivos asociados (humanos)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Índice de refracción: 1.459
• Punto de inflamación (°F): 230 °C
• Punto de inflamación (°C): 230°C
• Punto de ebullición (°C): 150°C
• Punto de fusión (°C): 14-15°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]