Seleno-l-methio-nine

Details

• Internal ID: 53b5e70d-a1a8-4328-9ef4-dd08cb462829
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
• IUPAC Name: 2-azaniumyl-4-methylselanylbutanoate
• SMILES (Canonical): C[Se]CCC(C(=O)[O-])[NH3+]
• SMILES (Isomeric): C[Se]CCC(C(=O)[O-])[NH3+]
• InChI: InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
• InChI Key: RJFAYQIBOAGBLC-UHFFFAOYSA-N
• Popularity: 10 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₁₁NO₂Se
• Molecular Weight: 196.12 g/mol
• Exact Mass: 196.99550 g/mol
• Topological Polar Surface Area (TPSA): 67.80 Ų
• XlogP: 0.00

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:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL3577	P00352	Aldehyde dehydrogenase 1A1	39810.7 nM	Potency	via CMAUP
CHEMBL1293235	P02545	Prelamin-A/C	631 nM	Potency	via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.40%	96.09%
CHEMBL2581	P07339	Cathepsin D	89.52%	98.95%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	82.42%	100.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.68%	99.17%

Plants that contains it

• Allium sativum

Cross-Links

• PubChem: 15820879
• NPASS: NPC167986
• ChEMBL: CHEMBL1474517