Selenomethionine

Details

• Internal ID: a63ab7d2-57f2-4679-ab1c-9a76266936e4
• 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-amino-4-methylselanylbutanoic acid
• SMILES (Canonical): C[Se]CCC(C(=O)O)N
• SMILES (Isomeric): C[Se]CCC(C(=O)O)N
• 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: 4,464 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): 63.30 Ų
• XlogP: 0.00

Synonyms

• DL-Selenomethionine
• 1464-42-2
• Seleno-DL-methionine
• 2578-28-1
• Butanoic acid, 2-amino-4-(methylseleno)-
• (+-)-Selenomethionine
• 2-amino-4-(methylselanyl)butanoic acid
• Methionine, seleno
• SELENIUM METHIONINE
• 2-amino-4-methylselanylbutanoic acid
• Selenomethionine (van)
• 2-amino-4-(methylseleno)butanoic acid
• 2-Amino-4-(methylselenyl)butyric acid
• Selenomethionine [USAN]
• Butyric acid, 2-amino-4-(methylselenyl)-
• CCRIS 3970
• Seleno-D,L-methionine
• HSDB 3564
• EINECS 215-977-0
• 2-Amino-4-(methylseleno)butyric Acid
• UNII-J9V40V4PKZ
• J9V40V4PKZ
• CCRIS 5850
• DTXSID7040609
• CHEBI:27585
• BRN 1758204
• NCGC00159438-02
• (S)-2-Amino-4-(methylselenyl)butyric acid
• (R)-2-Amino-4-(methylselanyl)butanoic acid
• (+-)-2-Amino-4-(methylseleno)butanoic acid
• L-(+)-Selenomethionine
• C5-H11-N-O2-Se
• Seleno-DL-methionine;DL-Selenomethionine
• MFCD00063089
• DL-Se-Met
• 2-amino-4-methylselanyl-butanoic acid
• Selenomethionine[75Se]
• bmse000291
• SCHEMBL63321
• SELENOMETHIONINE, DL-
• SELENOMETHIONINE DL-FORM
• (+/-)-SELENOMETHIONINE
• CHEMBL1474517
• DTXCID5020609
• DL-SELENOMETHIONINE [HSDB]
• BCP24111
• HY-B1000
• Tox21_111668
• DL-SELENOMETHIONINE [WHO-DD]
• NSC172801
• NSC724226
• 2-amino-4-(methylseleno)-butanoicaci
• SELENOMETHIONINE DL-FORM [MI]
• AKOS015854582
• CS-4494
• NSC-172801
• NSC-724226
• Seleno-DL-methionine, >=99% (TLC)
• NCGC00159438-03
• LS-47828
• LS-47829
• CAS-1464-42-2
• FT-0625510
• FT-0628011
• FT-0700913
• D92258
• 4-04-00-03216 (Beilstein Handbook Reference)
• A818011
• Butanoic acid, 2-amino-4-(methylseleno)-, (+)-
• Q415925
• Butanoic acid, 2-amino-4-(methylseleno)-, (+-)-
• BUTYRIC ACID, 2-AMINO-4-(METHYLSELENYL)-, DL-
• Butanoic acid, 2-amino-4-(methylseleno)-, (+-)- (9CI)
• Seleno-DL-methionine, certified reference material, TraceCERT(R)

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
CHEMBL1293235	P02545	Prelamin-A/C	631 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.60%	96.09%
CHEMBL2581	P07339	Cathepsin D	88.91%	98.95%
CHEMBL236	P41143	Delta opioid receptor	88.63%	99.35%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	86.69%	92.29%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.76%	99.17%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	83.07%	100.00%
CHEMBL221	P23219	Cyclooxygenase-1	82.23%	90.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.42%	96.95%

Plants that contains it

• Allium sativum

Cross-Links

• PubChem: 15103
• NPASS: NPC167986
• ChEMBL: CHEMBL1474517
• LOTUS: LTS0150888
• wikiData: Q415925