L-Selenocystathionine
PubChem CID: 441455
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| Compound Synonyms | L-Selenocystathionine, Selenocystathionine, X7WTF6263P, L,L-selenocystathionine, 23809-95-2, UNII-X7WTF6263P, NSC 90812, 2-Amino-4-((2-amino-2-carboxyethyl)seleno)butanoic acid, Butanoic acid, 2-amino-4-((2-amino-2-carboxyethyl)seleno)-, (2S)-2-Amino-4-(((2R)-2-amino-2-carboxyethyl)seleno)butanoic acid, (2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]selanylbutanoic acid, (2S)-2-Amino-4-[[(2R)-2-amino-2-carboxyethyl]seleno]butanoic acid, (2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]selanyl}butanoic acid, Butanoic acid, 2-amino-4-(((2R)-2-amino-2-carboxyethyl)seleno)-, (2S)-, 2-amino-4-[(2-amino-2-carboxyethyl)seleno]butanoic acid, Butanoic acid, 2-amino-4-[(2-amino-2-carboxyethyl)seleno]-, NSC-90812, Butanoic acid, 2-amino-4-[[(2R)-2-amino-2-carboxyethyl]seleno]-, (2S)-, 2-Amino-4-((2-amino-2-carboxyethyl)seleno)butanoate, 2-amino-4-((2-amino-2-carboxyethyl)seleno)-Butanoate, 2-amino-4-((2-amino-2-carboxyethyl)seleno)-Butanoic acid, CHEBI:27760, DTXSID901168210, C05699, Q27103310, (S)-2-Amino-4-(((R)-2-amino-2-carboxyethyl)selanyl)butanoic acid |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]selanylbutanoic acid |
| Prediction Hob | 1.0 |
| Molecular Formula | C7H14N2O4Se |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZNWYDQPOUQRDLY-WHFBIAKZSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -1.423 |
| Rotatable Bond Count | 7.0 |
| Logd | -1.106 |
| Compound Name | L-Selenocystathionine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.012 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.012 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 269.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 |
| Smiles | C(C[Se]C[C@@H](C(=O)O)N)[C@@H](C(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Selago (Plant) Rel Props:Source_db:cmaup_ingredients