pentahomomethionine S-oxide
PubChem CID: 121232642
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| Compound Synonyms | pentahomomethionine S-oxide, pentahomo-Met S-oxide, CHEBI:91225, 2-amino-9-methanesulfinylnonanoic acid, 2-amino-9-(methylsulfinyl)nonanoic acid, 2-amino-9-(methanesulfinyl)nonanoic acid, Q27163140 |
|---|---|
| Topological Polar Surface Area | 99.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-9-methylsulfinylnonanoic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -1.7 |
| Is Pains | False |
| Molecular Formula | C10H21NO3S |
| Prediction Swissadme | 0.0 |
| Inchi Key | PUZLVBQOZIVDKI-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Rotatable Bond Count | 9.0 |
| Compound Name | pentahomomethionine S-oxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 235.124 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 235.124 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 235.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3847362000000003 |
| Inchi | InChI=1S/C10H21NO3S/c1-15(14)8-6-4-2-3-5-7-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13) |
| Smiles | CS(=O)CCCCCCCC(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients