Vitamin U

Base Information

• Chemical Name: Vitamin U
• CAS No.: 4727-40-6
• Molecular Formula: C₆H₁₃NO₂S
• Molecular Weight: 163.241
• UNII: 3485Y39925
• DSSTox Substance ID: DTXSID401314761
• Wikipedia: S-Methylmethionine
• Wikidata: Q73402877
• Metabolomics Workbench ID: 64903
• ChEMBL ID: CHEMBL2074824
• Mol file: 4727-40-6.mol

Synonyms:Chloride, Methionine Methylsulfonium;Chloride, Methylmethioninesulfonium;Methionine Methylsulfonium Chloride;Methylmethionine;Methylmethionine Sulfonium Chloride;Methylmethioninesulfonium Chloride;Methylsulfonium Chloride, Methionine;S Methylmethionine;S-Methylmethionine;Sulfonium, ((3S)-3-Amino-3-Carboxypropyl)Dimethyl-, Inner Salt;Vitamin U

Chemical Property of Vitamin U

Chemical Property:

• PSA: 88.62000
• LogP: 0.36660
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 163.06669983
• Heavy Atom Count: 10
• Complexity: 111

Purity/Quality:

99%, ^*data from raw suppliers

S-METHYLMETHIONINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[S+](C)CCC(C(=O)[O-])N
• Isomeric SMILES: C[S+](C)CC[C@@H](C(=O)[O-])N

Technology Process of Vitamin U

There total 1 articles about Vitamin U 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:

L-methionine (63-68-3,26062-47-5,58576-49-1) + S-adenosyl-L-methionine (485-80-3,15519-60-5,60018-85-1,60018-86-2,79845-28-6) → S-methylmethionine (4727-40-6)

Guidance literature:

With His₆-methyltransferase; In aq. phosphate buffer; at 30 ℃; for 1.5h; pH=8; Enzymatic reaction;

DOI:10.1002/anie.202003958

upstream raw materials:

L-methionine

S-adenosyl-L-methionine

Refernces