10-Nitro oleic acid - 500 μg/mL in Ethanol , CAS No.875685-46-4

CAS: 875685-46-4 Cat. No.: N358893 Fórmula: C₁₈H₃₃NO₄ Peso molecular: 327.46

GRADE & PURITY 500 μg/mL in Ethanol

Synonyms

CXA-10 | 10-nitro-9-trans-octadecenoic acid | LNA | 10-nitroelaidic acid | AKOS040748198 | 10-Nitroelaidate | Prestwick2_000245 | (9E)-10-nitrooctadec-9-enoic acid | DB15026 | (9E)-10-nitrooctadecenoic acid | SCHEMBL1018141 | 10-nitro-9E-Octadecenoate | (

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

CXA-10 | 10-nitro-9-trans-octadecenoic acid | LNA | 10-nitroelaidic acid | AKOS040748198 | 10-Nitroelaidate | Prestwick2_000245 | (9E)-10-nitrooctadec-9-enoic acid | DB15026 | (9E)-10-nitrooctadecenoic acid | SCHEMBL1018141 | 10-nitro-9E-Octadecenoate | (

Especificaciones y pureza

500 μg/mL in Ethanol

Condiciones de almacenamiento de almacenamiento

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.

Nombres e identificadores

Sonrisas canónicas

CCCCCCCCC(=CCCCCCCCC(=O)O)[N+](=O)[O-]

IUPAC Name

(E)-10-nitrooctadec-9-enoic acid

InChIKey

WRADPCFZZWXOTI-BMRADRMJSA-N

INCHI

1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+

Isómeros SMILES

CCCCCCCC/C(=C\CCCCCCCC(=O)O)/[N+](=O)[O-]

Peso molecular

327.46

Reaxy-Rn

27101918

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27101918&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: Nitro fatty acids Unsaturated fatty acids C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Nitro fatty acid - Unsaturated fatty acid - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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: Nitro 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)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 78.37° C
• Peso molecular: 327.500 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 327.241 Da
• Monoisotopic Mass: 327.241 Da
• Topological Polar Surface Area: 83.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 347.000
• 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