Selenohomocystine
PubChem CID: 24496
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| Compound Synonyms | Selenohomocystine, 7776-33-2, 4,4'-Diselenobis(2-aminobutyric acid), 4,4'-Diselenobis(2-aminobutanoic acid), BRN 1798698, Butanoic acid, 4,4'-diselenobis(2-amino-, CHEBI:27461, 3-04-00-01656 (Beilstein Handbook Reference), BUTYRIC ACID, 4,4'-DISELENOBIS(2-AMINO-, 4,4'-diselane-1,2-diylbis(2-aminobutanoic acid), 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid, 4,4'-Diselenobis[2-aminobutanoic acid], 2-amino-4-((3-amino-3-carboxypropyl)diselanyl)butanoic acid, DTXSID00998953, 4,4'-Diselenobis(2-aminobutyrate), 4,4'-Diselenobis(2-aminobutanoate), Butanoic acid, 4,4'-diselenobis(2-amino-(9CI), 4,4'-(Diselane-1,2-diyl)bis(2-aminobutanoic acid) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids |
| Deep Smiles | NCC=O)O))CC[Se][Se]CCCC=O)O))N |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Selenohomocystine is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Selenohomocystine is soluble (in water) and an extremely strong acidic compound (based on its pKa). Selenohomocystine can be found in garden onion, which makes selenohomocystine a potential biomarker for the consumption of this food product. |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-4-[(3-amino-3-carboxypropyl)diselanyl]butanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16N2O4Se2 |
| Inchi Key | NBQXBIDZPLKFHR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | seleno homo-cystine |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, C[Se][Se]C |
| Compound Name | Selenohomocystine |
| Exact Mass | 363.944 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 363.944 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 362.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16N2O4Se2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) |
| Smiles | C(C[Se][Se]CCC(C(=O)O)N)C(C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all