hexahomomethionine S-oxide
PubChem CID: 121232643
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| Compound Synonyms | hexahomomethionine S-oxide, hexahomo-Met S-oxide, CHEBI:91226, 2-amino-10-methanesulfinyldecanoic acid, 2-amino-10-(methylsulfinyl)decanoic acid, 2-amino-10-(methanesulfinyl)decanoic acid, Q27163141 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 99.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | QRXRWDDFTQIZAV-UHFFFAOYSA-N |
| Fcsp3 | 0.9090909090909092 |
| Rotatable Bond Count | 10.0 |
| Heavy Atom Count | 16.0 |
| Compound Name | hexahomomethionine S-oxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 249.14 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 249.14 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 249.37 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-10-methylsulfinyldecanoic acid |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | 0.017268800000000195 |
| Inchi | InChI=1S/C11H23NO3S/c1-16(15)9-7-5-3-2-4-6-8-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14) |
| Smiles | CS(=O)CCCCCCCCC(C(=O)O)N |
| Xlogp | -1.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C11H23NO3S |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients