L-methioninate
PubChem CID: 5460892
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| Compound Synonyms | L-methioninate, meritonin, Methilanin, l-2-Amino-4-(methylthio)butyric acid, (2S)-2-amino-4-(methylsulfanyl)butanoate, L-methionine anion, 2-amino-4-(methylthio)-butyric acid, (S)-(-)-Methionine, CHEBI:32631, L-(-)-amino-gamma-methylthiobutyric acid, Q27115025 |
|---|---|
| Topological Polar Surface Area | 91.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 91.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-4-methylsulfanylbutanoate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -1.2 |
| Is Pains | False |
| Molecular Formula | C5H10NO2S- |
| Prediction Swissadme | 0.0 |
| Inchi Key | FFEARJCKVFRZRR-BYPYZUCNSA-M |
| Fcsp3 | 0.8 |
| Logs | -1.185 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.352 |
| Compound Name | L-methioninate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.043 |
| Formal Charge | -1.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 148.043 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 148.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.43121660000000017 |
| Inchi | InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1/t4-/m0/s1 |
| Smiles | CSCC[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 Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Source_db:cmaup_ingredients