L-Methionine-S-methyl Sulfonium Chloride
PubChem CID: 131668457
Connections displayed (default: 10).
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| Compound Synonyms | MYGVPKMVGSXPCQ-JEDNCBNOSA-N, AS-85225 |
|---|---|
| Topological Polar Surface Area | 67.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-4-dimethylsulfoniobutanoate, hydrochloride |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Is Pains | False |
| Molecular Formula | C6H14ClNO2S |
| Prediction Swissadme | 1.0 |
| Inchi Key | MYGVPKMVGSXPCQ-JEDNCBNOSA-N |
| Fcsp3 | 0.8333333333333334 |
| Rotatable Bond Count | 3.0 |
| Compound Name | L-Methionine-S-methyl Sulfonium Chloride |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 199.043 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 199.043 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 199.7 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.3983586 |
| Inchi | InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9, /h5H,3-4,7H2,1-2H3, 1H/t5-, /m0./s1 |
| Smiles | C[S+](C)CC[C@@H](C(=O)[O-])N.Cl |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients