Methiin
PubChem CID: 9578071
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 32726-14-0, (+)-S-Carboxymethyl-L-cysteine, Methiin, L-Alanine, 3-[(S)-methylsulfinyl]- (9CI), L-Alanine, 3-(methylsulfinyl)-, (S), (2R)-2-amino-3-[(S)-methylsulfinyl]propanoic acid, DTXSID70186401, (2R)-2-AMINO-3-[(S)-METHANESULFINYL]PROPANOIC ACID, Kale anemia factor, (2R)-2-amino-3-((S)-methylsulfinyl)propanoic acid, (2R)-2-azaniumyl-3-((S)-methylsulfinyl)propanoate, (2R)-2-azaniumyl-3-[(S)-methylsulfinyl]propanoate, (2R)-2-amino-3-((S)-methanesulfinyl)propanoic acid, S-Methyl-L-cycteine sulfoxide, L-Alanine, 3-[(S)-methylsulfinyl]-, S-Methyl-L-cysteinesulfoxide, EX-A7842Q, DTXCID40108892, Methiin (S-Methylcystein-sulfoxid), (+)-S-Methyl-L-cysteine-S-oxide, L-Alanine,3-[(S)-methylsulfinyl]-(9ci), DB-287874, NS00094774, EN300-7426890, 864-895-7 |
|---|---|
| Topological Polar Surface Area | 99.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-2-amino-3-[(S)-methylsulfinyl]propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -4.3 |
| Molecular Formula | C4H9NO3S |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZZLHPCSGGOGHFW-KTCWOMIQSA-N |
| Fcsp3 | 0.75 |
| Logs | -0.879 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.696 |
| Compound Name | Methiin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 151.03 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.03 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 151.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.1107405999999997 |
| Inchi | InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9-/m0/s1 |
| Smiles | C[S@](=O)C[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