L-Homocysteic acid

Base Information

• Chemical Name: L-Homocysteic acid
• CAS No.: 14857-77-3
• Molecular Formula: C4H9 N O5 S
• Molecular Weight: 183.185
• Hs Code.: 2922499990
• UNII: YW13F86W9W
• DSSTox Substance ID: DTXSID101020602
• Nikkaji Number: J231.838E
• Wikipedia: Homocysteic_acid
• Wikidata: Q15410991
• Metabolomics Workbench ID: 38074
• ChEMBL ID: CHEMBL230951
• Mol file: 14857-77-3.mol

Synonyms:L-Homocysteic acid;14857-77-3;L-2-Amino-4-sulfobutyric acid;(2S)-2-Amino-4-sulfobutanoic acid;L-HOMOCYSTEATE;(S)-2-amino-4-sulfobutanoic acid;Butanoic acid, 2-amino-4-sulfo-, (2S)-;CHEMBL230951;YW13F86W9W;(2~{S})-2-azanyl-4-sulfo-butanoic acid;C4-H9-N-O5-S;L-2-Amino-4-sulfobutyrate;UNII-YW13F86W9W;HOMOCYSTEIC ACID, L-;SCHEMBL157695;CHEBI:80543;(S)-2-amino-4-sulfobutanoicacid;CHEBI:132223;(S)-2-amino-4-sulfobutyric acid;DTXSID101020602;AMY19333;(2S)-2-amino-4-sulfobutyric acid;BDBM50220147;PDSP1_001269;PDSP2_001253;Butanoic acid, 2-amino-4-sulfo-, (S)-;HY-138903;CS-0173310;BUTYRIC ACID, 2-AMINO-4-SULFO-, L-;H-2740;Q15410991;HJT

Chemical Property of L-Homocysteic acid

Chemical Property:

• PKA: 1.40±0.50(Predicted)
• PSA: 126.07000
• Density: 1.638g/cm³
• LogP: 0.45730
• XLogP3: -3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 183.02014356
• Heavy Atom Count: 11
• Complexity: 227

Purity/Quality:

98%,99%, ^*data from raw suppliers

L-Homocysteic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CS(=O)(=O)O)C(C(=O)O)N
• Isomeric SMILES: C(CS(=O)(=O)O)[C@@H](C(=O)O)N
• Uses: L-Homocysteic acid has been used to study hydrogen peroxide-mediated changes in physiological and pathological conditions in the nervous system.

Technology Process of L-Homocysteic acid

There total 7 articles about L-Homocysteic acid 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:

formic acid (64-18-6) + L-methionine (63-68-3,26062-47-5,58576-49-1) → L-methionine sulfoxide (3226-65-1,86631-49-4,779988-65-7) + L-glutamic acid (56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) + L-methionine sulfone (7314-32-1,1118-85-0) + L-homocysteic acid (14857-77-3,1001-13-4)

Guidance literature:

With hydrogen; oxygen; In water; at 40 - 50 ℃; Further byproducts given; a flame from a burner fed with H₂+O₂ was blown to the surface of an aq. solution; H₂:O₂=83:17;

DOI:10.1016/S0040-4039(97)10802-4

Reference yield:

L-methionine (63-68-3,26062-47-5,58576-49-1) → L-2-aminobutyric acid (1492-24-6) + L-homoserine (672-15-1,119736-88-8) + L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + L-methionine sulfoxide (3226-65-1,86631-49-4,779988-65-7) + L-methionine sulfone (7314-32-1,1118-85-0) + L-homocysteic acid (14857-77-3,1001-13-4)

Guidance literature:

With hydrogen; oxygen; In water; at 40 - 50 ℃; Product distribution; Mechanism; A flame from a burner fed with H₂-O₂ mixtures of different compositions were blown onto the surface of an aq. solution of pH=3;

DOI:10.1016/S0040-4039(97)10802-4

Reference yield:

formic acid (64-18-6) + L-methionine (63-68-3,26062-47-5,58576-49-1) → L-homoserine (672-15-1,119736-88-8) + L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + L-methionine sulfoxide (3226-65-1,86631-49-4,779988-65-7) + L-glutamic acid (56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) + L-methionine sulfone (7314-32-1,1118-85-0) + L-homocysteic acid (14857-77-3,1001-13-4)

Guidance literature:

With hydrogen; oxygen; In water; at 40 - 50 ℃; Product distribution; Mechanism; A flame from a burner fed with H₂-O₂ mixtures of different compositions were blown onto the surface of an aq. solution of pH=3;

DOI:10.1016/S0040-4039(97)10802-4

upstream raw materials:

L-homocystine

formic acid

L-methionine

L-methionine sulfoxide

Refernces

• 1、 Nomoto, Shinya,Shimoyama, Akira,Shiraishi, Susumu,Seno, Tomoyuki,Sahara, Denzo. "Under-flame Reaction of Sulfur-containing Amino Acids by a Hydrogen-Oxygen Flame". . p. 643 - 649. Retrieved 2007/10/03.