(+)-Vernolic Acid - Moligand™, ≥97% , CAS No.503-07-1

CAS: 503-07-1 Cat. No.: E766608 Fórmula: C₁₈H₃₂O₃ Peso molecular: 296.45

GRAU & PUREZA Moligand™, ≥97%

Synonyms

(±)12(13)epoxy-9Z-octadecenoic acid|(±)12,13-EODE|Isoleukotoxin|(±)-Vernolic Acid

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

The 12,13-cis epoxide of linoleic acid, generated by neutrophils during the oxidative burst. The toxicity and biosynthesis of (±)12(13)-EpOME have not been well differentiated from (±)9(10)-EpOME, but are assumed to be essentially the same.
(±)12(13)-EpOMEis a 12,13-cis epoxide of linoleic acid

Especificações

Sinónimos

(±)12(13)epoxy-9Z-octadecenoic acid | (±)12,13-EODE | Isoleukotoxin | (±)-Vernolic Acid

Especificações e pureza

Moligand™, ≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528752684

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528752684

Sorrisos canónicos

CCCCCC1C(O1)CC=CCCCCCCCC(=O)O

IUPAC Name

(Z)-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid

InChIKey

CCPPLLJZDQAOHD-GJGKEFFFSA-N

INCHI

1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m1/s1

SMILES isoméricas

CCCCC[C@@H]1[C@@H](O1)C/C=C\CCCCCCCC(=O)O

CAS alternativo

17966-13-1,503-07-1

Termos de entrada MeSH

cis-12-epoxyoctadeca-cis-9-enoate;cis-12-epoxyoctadeca-cis-9-enoic acid;vernoleate;vernolic acid

Peso molecular

296.45

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Epoxy fatty acids Unsaturated fatty acids Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Long-chain fatty acid - Epoxy fatty acid - Heterocyclic fatty acid - Unsaturated fatty acid - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descrição: 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: Other Octadecanoids

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

Propriedades químicas e físicas

• Peso molecular: 296.400 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 296.235 Da
• Monoisotopic Mass: 296.235 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 299.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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