L-threoninate
PubChem CID: 5460797
Connections displayed (default: 10).
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| Compound Synonyms | L-threoninate, L-threonine anion, (2S,3R)-threonine, L-Threonine, ion(1-), CHEBI:32820, DTXSID001315048, c0413, 68199-29-1, thr, Q27115126 |
|---|---|
| Topological Polar Surface Area | 86.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 87.8 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,3R)-2-amino-3-hydroxybutanoate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -2.3 |
| Is Pains | False |
| Molecular Formula | C4H8NO3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | AYFVYJQAPQTCCC-GBXIJSLDSA-M |
| Fcsp3 | 0.75 |
| Logs | 0.049 |
| Rotatable Bond Count | 1.0 |
| Logd | -2.055 |
| Compound Name | L-threoninate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.05 |
| Formal Charge | -1.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 118.05 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 118.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.2796056 |
| Inchi | InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p-1/t2-,3+/m1/s1 |
| Smiles | C[C@H]([C@@H](C(=O)[O-])N)O |
| 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 Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Tussilago Farfara (Plant) Rel Props:Source_db:cmaup_ingredients