20-Carboxy-leukotriene B4 - ≥90%(HPLC), ~1mg/mL in ethanol , CAS No.80434-82-8

CAS: 80434-82-8 Cat. No.: C485903 Peso molecular: 366.45 Número EC: 632-880-2 PubChem CID: 5280877

GRADE & PURITY ≥90%(HPLC), ~1mg/mL in ethanol

Synonyms

BML1-E06 | HY-113483 | (S-(R*,S*-(E,Z,E,Z)))-5,12-dihydroxy-6,8,10,14-Eicosatetraenedioate | 20-carboxyleukotriene B4 | 20-Carboxy-leukotriene B4 | 20-Carboxy-leukotriene- B4 | (S-(R*,S*-(E,Z,E,Z)))-5,12-dihydroxy-6,8,10,14-Eicosatetraenedioic acid | C059

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

BML1-E06 | HY-113483 | (S-(R*, S*-(E, Z, E, Z)))-5, 12-dihydroxy-6, 8, 10, 14-Eicosatetraenedioate | 20-carboxyleukotriene B4 | 20-Carboxy-leukotriene B4 | 20-Carboxy-leukotriene- B4 | (S-(R*, S*-(E, Z, E, Z)))-5, 12-dihydroxy-6, 8, 10, 14-Eicosatetraenedioic acid | C059

Especificaciones y pureza

≥90%(HPLC), ~1mg/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.

Pureza

≥90%(HPLC)

Propiedades del producto

• pKa: pKa: 4.66

Nombres e identificadores

• Sonrisas canónicas: C(CCC(=O)O)CC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O
• IUPAC Name: (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenedioic acid
• InChIKey: SXWGPVJGNOLNHT-VFLUTPEKSA-N
• INCHI: 1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
• Isómeros SMILES: C(CCC(=O)O)C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O
• WGK Alemania: 3
• PubChem CID: 5280877
• Peso molecular: 366.45

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: Hydroxy fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Hydroxy fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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: Leukotrienes

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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: n20D1.55
• Punto de inflamación (°F): 57.2 °F
• Punto de inflamación (°C): 14 °C
• Punto de ebullición (°C): 78° C
• Peso molecular: 366.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 15
• Exact Mass: 366.204 Da
• Monoisotopic Mass: 366.204 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 504.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1