DL-Se-methylselenocysteine
PubChem CID: 114835
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| Compound Synonyms | 3-(Methylseleno)alanine, 2574-71-2, 2-amino-3-methylselanylpropanoic acid, Selenium methyl cysteine, DL-Se-methylselenocysteine, NSC 319053, CHEBI:9068, Methylselenocysteine, Se-Methylseleno-L-cysteine, Selenomethyl selenocysteine, SCHEMBL643855, DTXSID30865265, BCP30216, NSC319053, AKOS006228094, NSC-319053, 2-Amino-3-(methylselanyl)propanoic acid, 26145-42-6, NS00096419, Q27108260, Methylselenocysteine, Se-methylselenocysteine, Se-Methyl-L-selenocysteine |
|---|---|
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Pathway Kegg Map Id | map00450 |
| Description | Se-Methylselenocysteine (SeMSC) is a naturally occurring seleno-amino acid that is synthesized by plants such as garlic, astragalus, onions and broccoli. Unlike selenomethionine, which is incorporated into proteins in place of methionine, SeMSC is not incorporated into any proteins, thereby being fully available for the synthesis of selenium-containing enzymes such as glutathione peroxidase. 3-(Methylseleno)alanine is found in many foods, some of which are common cabbage, white cabbage, lima bean, and cauliflower. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.1 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | Q16773, P19440, Q9UJ14, Q96I15, Q6P531, Q6YP21, P36269 |
| Iupac Name | 2-amino-3-methylselanylpropanoic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C4H9NO2Se |
| Prediction Swissadme | 0.0 |
| Inchi Key | XDSSPSLGNGIIHP-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | -1.514 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | -0.531 |
| Synonyms | (2R)-2-amino-3-methylselanylpropanoic acid, (R)-2-Amino-3-(methylseleno)propionic acid, 3-(methylseleno)-L-Alanine, 3-(Methylseleno)alanine, 9CI, C4H9NO2Se, L-Alanine, 3-(methylseleno)-, L-Methylselenocysteine, L-se-methylselenocysteine, Methyl-L-selenocysteine, Methylselenocysteine, Se-(methyl)selenocysteine hydrochloride, Se-methyl-l-selenocysteine, Se-methyl-seleno-l-cysteine, Se-methyl-selenocysteine, Se-Methylselenocysteine, Selenium methyl cysteine, Selenium-methylselenocystine, Selenohomocysteine, Selenomethylselenocysteine, Selenomethylselenocysteine, (l)-isomer, SEMC |
| Substituent Name | L-alpha-amino acid, Selenoether, Monocarboxylic acid or derivatives, Carboxylic acid, Hydrocarbon derivative, Primary amine, Organoselenium compound, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aliphatic acyclic compound, Alpha-amino acid |
| Compound Name | DL-Se-methylselenocysteine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.98 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.98 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 182.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) |
| Smiles | C[Se]CC(C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Phaseolus Lunatus (Plant) Rel Props:Source_db:fooddb_chem_all