(2R)-2-azaniumyl-3-[(S)-2-hydroxyethylsulfinyl]propanoate

Details

• Internal ID: 659751fb-1a60-4cc9-a348-010f1d081807
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids
• IUPAC Name: (2R)-2-azaniumyl-3-[(S)-2-hydroxyethylsulfinyl]propanoate
• InChI: InChI=1S/C5H11NO4S/c6-4(5(8)9)3-11(10)2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-,11+/m0/s1
• InChI Key: UVUXOAGEDRREKG-AQPAIEDISA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₁₁NO₄S
• Molecular Weight: 181.21 g/mol
• Exact Mass: 181.04087901 g/mol
• Topological Polar Surface Area (TPSA): 124.00 Ų
• XlogP: -4.40

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	99.60%	83.82%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	94.78%	96.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.46%	96.09%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	85.16%	92.29%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	84.23%	91.24%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.15%	99.17%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	83.68%	97.21%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	80.91%	92.88%

Plants that contains it

• Petiveria alliacea

Cross-Links

• PubChem: 26087987
• LOTUS: LTS0079032
• wikiData: Q105280112