pentahomomethionine S-oxide
Basic information
- Standard SMILES
C[S+]([O-])CCCCCCCC(N)C(=O)O- InChIKey
PUZLVBQOZIVDKI-UHFFFAOYSA-N- Molecular formula
- C10H21NO3S
- Average molar mass
- 235.35 g/mol
- Monoisotopic mass
- 235.12421453
Overview
Pentahomomethionine S-oxide is a sulfur-containing amino acid that is the sulfoxide obtained by formal oxygenation of the sulfur atom of pentahomomethionine. It has a role as a plant metabolite. It is a sulfoxide, a sulfur-containing amino acid and a non-proteinogenic alpha-amino acid. It is functionally related to a pentahomomethionine.
Names & identifiers
- Preferred name
- pentahomomethionine S-oxide
- IUPAC
- 2-amino-9-methylsulfinylnonanoic acid
Names & synonyms
pentahomomethionine S-oxidepentahomo-Met S-oxideSCHEMBL29379870CHEBI:912252-amino-9-methanesulfinylnonanoic acid2-amino-9-(methylsulfinyl)nonanoic acid2-amino-9-(methanesulfinyl)nonanoic acidQ27163140
Database identifiers
- ChEBI
CHEBI:91225
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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