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

CAS: 27244-54-8 Cat. No.: D463740 Molecular Weight: 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

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

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O
• PubChem CID: 3080745
• Molecular Weight: 258.12(free acid basis)

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Associated Targets(non-human)

eda KHG/KDPG aldolase (12 Activities)

Discover Target: eda

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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Molecular Weight: 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