cis-Vaccenic acid - ≥97%(GC), oil , CAS No.506-17-2

CAS: 506-17-2 Cat. No.: C464379 Molecular Weight: 282.46 Beilstein Registry Number: 1726565 EC Number: 625-972-9

GRADE & PURITY ≥97%(GC), oil

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 | 11

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

cis-Vaccenic acid, the antiviral extract from Rhodopseudomonas capsulate and the predominant active component of Rhodopseudomonas capsulate, acts a potential fetal hemoglobin inducer.

Specifications

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 | 11

Specifications & Purity

≥97%(GC), oil

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(GC)

Names and Identifiers

• Canonical Smiles: 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-
• Isomeric SMILES: CCCCCC/C=C\CCCCCCCCCC(=O)O
• WGK Germany: 3
• Molecular Weight: 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
    • 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: 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
• 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: 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

Associated Targets(Human)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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
• Refractive Index: 1.459
• Flash Point(°F): 230 °C
• Flash Point(°C): 230°C
• Boil Point(°C): 150°C
• Melt Point(°C): 14-15°C
• Molecular Weight: 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

References

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]