2-Keto-3-deoxy-6-phosphogluconate lithium salt - ≥95% , CAS No.27244-54-8

CAS: 27244-54-8 Cat. No.: D463740 Peso molecular: 258.12(free acid basis) PubChem CID: 3080745

GRADE & PURITY ≥95%

Synonyms

CHEBI:15925 | 2-keto 3 deoxy 6 phospho gluconate | D-erthro-Hexulosonic acid, 3-deoxy-, 6-(dihydrogen phosphate) | 2-Dehydro-3-deoxy-D-gluconate 6-phosphate | 2-keto-3-deoxy-6-phosphogluconate | 2-keto-3-deoxy-6-phospho-gluconate | 2-keto-3-deoxygluconate

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

CHEBI:15925 | 2-keto 3 deoxy 6 phospho gluconate | D-erthro-Hexulosonic acid, 3-deoxy-, 6-(dihydrogen phosphate) | 2-Dehydro-3-deoxy-D-gluconate 6-phosphate | 2-keto-3-deoxy-6-phosphogluconate | 2-keto-3-deoxy-6-phospho-gluconate | 2-keto-3-deoxygluconate

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

2-dehydro-3-deoxy-phosphogluconate is a substrate for the enzyme 2-dehydro-3-deoxy-phosphogluconate aldolase which converts it into D-glyceraldehyde 3-phosphate plus pyruvate. Metabolite in the pentose phosphate pathway, generating NADPH and pentoses; an

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

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

≥95%

Nombres e identificadores

• Sonrisas canónicas: C(C(C(COP(=O)(O)O)O)O)C(=O)C(=O)O
• IUPAC Name: (4S,5R)-4,5-dihydroxy-2-oxo-6-phosphonooxyhexanoic acid
• InChIKey: OVPRPPOVAXRCED-WVZVXSGGSA-N
• INCHI: 1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1
• Isómeros SMILES: C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O
• PubChem CID: 3080745
• Peso molecular: 258.12(free acid basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Keto acids and derivatives
      • Subclass Medium-chain keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Keto acids and derivatives
• Subclass: Medium-chain keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain keto acids and derivatives
• Alternative Parents: Monoalkyl phosphates Beta-hydroxy ketones Alpha-keto acids and derivatives Alpha-hydroxy ketones Secondary alcohols 1,2-diols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain keto acid - Monoalkyl phosphate - Alpha-keto acid - Beta-hydroxy ketone - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Alpha-hydroxy ketone - Ketone - 1,2-diol - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
• External Descriptors: ketoaldonic acid phosphate

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 (no humanos)

eda KHG/KDPG aldolase (12 Activities)

Discover Target: eda

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Peso molecular: 258.120 g/mol
• XLogP3: -3.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 258.014 Da
• Monoisotopic Mass: 258.014 Da
• Topological Polar Surface Area: 162.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 307.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1