Methylseleno carboxypropylglutamine
PubChem CID: 16128830
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| Compound Synonyms | Peptiselect, Methylseleno carboxypropylglutamine, UNII-G6585SLR08, G6585SLR08, 879546-05-1, L-Glutamine, N-((1S)-1-carboxy-3-(methylseleno)propyl), gamma-glutamylselenomethionine, SCHEMBL2254625, DTXSID20236723, Q27278823 |
|---|---|
| Topological Polar Surface Area | 130.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 311.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-2-amino-5-[[(1S)-1-carboxy-3-methylselanylpropyl]amino]-5-oxopentanoic acid |
| Prediction Hob | 1.0 |
| Molecular Formula | C10H18N2O5Se |
| Prediction Swissadme | 0.0 |
| Inchi Key | UNKIUCFEUVMHCS-BQBZGAKWSA-N |
| Fcsp3 | 0.7 |
| Logs | -1.513 |
| Rotatable Bond Count | 9.0 |
| Logd | -0.738 |
| Compound Name | Methylseleno carboxypropylglutamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.038 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 325.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H18N2O5Se/c1-18-5-4-7(10(16)17)12-8(13)3-2-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1 |
| Smiles | C[Se]CC[C@@H](C(=O)O)NC(=O)CC[C@@H](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 - 2. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients