Shikimic acid-3-phosphate

Base Information

• Chemical Name: Shikimic acid-3-phosphate
• CAS No.: 114489-69-9
• Molecular Formula: C₇H₁₁O₈P
• Molecular Weight: 254.133
• DSSTox Substance ID: DTXSID70274296
• Wikidata: Q82003671
• Mol file: 114489-69-9.mol

Synonyms:shikimate-3-phosphate;shikimic acid-3-phosphate

Chemical Property of Shikimic acid-3-phosphate

Chemical Property:

• Vapor Pressure: 3.67E-16mmHg at 25°C
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 254.01915430
• Heavy Atom Count: 16
• Complexity: 357

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)O

Technology Process of Shikimic acid-3-phosphate

There total 2 articles about Shikimic acid-3-phosphate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

shikimic acid (138-59-0) → shikimate 3-phosphate (S3P) (63959-45-5,114489-69-9)

Guidance literature:

With NaOH buffer; triethanolamine hydrochloride; adenosine 5'-triphosphate disodium salt; magnesium chloride; type II shikimate kinase (EC 2.7.1.71) from Escherichia coli; In various solvent(s); at 25 ℃; pH=7.8; Enzyme kinetics; Enzymatic reaction;

DOI:10.1021/jo001121k

Reference yield:

5-enol-pyruvoylshikimate 3-phosphate (EPSP) (89771-75-5,27840-48-8) → shikimate 3-phosphate (S3P) (63959-45-5,114489-69-9) + 2-oxo-propionic acid (127-17-3)

Guidance literature:

With perchloric acid; at 25 ℃; Rate constant;

DOI:10.1021/ja00033a039

Reference yield:

shikimate 3-phosphate (S3P) (63959-45-5,114489-69-9)

Guidance literature:

With 5-enolpyruvylshikimate-3-phosphate synthase CP₁₁₁; Reagent/catalyst; Kinetics;

DOI:10.1039/c3cc48722a

upstream raw materials:

5-enol-pyruvoylshikimate 3-phosphate (EPSP)

shikimic acid