Selenocystine, DL-
PubChem CID: 15104
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| Compound Synonyms | Selenocystine, Seleno-DL-cystine, 2897-21-4, DL-Selenocystine, D,L-Selenocystine, 3,3'-Diselenobisalanine, Alanine, 3,3'-diselenobis-, Selenium cystine, 3,3'-Diselenodialanine, 1464-43-3, CCRIS 3971, Selenocystine, DL-, N27T3B3MVN, 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid, 2-AMINO-3-(2-AMINO-2-CARBOXY-ETHYL)SELANYLSELANYL-PROPANOIC ACID, ALANINE, 3,3'-DISELENODI-, Selenocystin, 2-amino-3-((2-amino-2-carboxyethyl)diselanyl)propanoic acid, ALANINE, 3,3'-DISELENODI-, DL-, 3,3'-diselane-1,2-diylbis(2-aminopropanoic acid), 13900-89-5, Seleno-DL-cystine, powder, UNII-N27T3B3MVN, 3,3'-Diselenobis[alanine], SCHEMBL160608, CHEBI:28553, DTXSID70862672, NSC172800, AKOS000278328, AKOS024370386, NSC-172800, DA-57782, HY-113064, CS-0059475, NS00122675, Q27103768, 636-685-3 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Pathway Kegg Map Id | map00450 |
| Description | Selenocystine is a substrate for glutathione peroxidase 1. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid |
| Prediction Hob | 1.0 |
| Molecular Formula | C6H12N2O4Se2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JULROCUWKLNBSN-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.047 |
| Rotatable Bond Count | 7.0 |
| State | Solid |
| Logd | -0.829 |
| Synonyms | 3,3'-Diselenobisalanine, 3,3'-Diselenodialanine, D,L-Selenocystine, DL-Selenocystine, Selenium cystine, Seleno-DL-cystine |
| Compound Name | Selenocystine, DL- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 335.913 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 335.913 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 334.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12) |
| Smiles | C(C(C(=O)O)N)[Se][Se]CC(C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients