Identification
- Generic Name
- L-methionine (S)-S-oxide
- DrugBank Accession Number
- DB02467
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for L-methionine (S)-S-oxide (DB02467)
- Weight
- Average: 165.211
Monoisotopic: 165.045963913 - Chemical Formula
- C5H11NO3S
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UThymidylate synthase Not Available Escherichia coli (strain K12) UPossible cellulase CelA1 (Endoglucanase) (Endo-1,4-beta-glucanase) (FI-cmcase) (Carboxymethyl cellulase) Not Available Mycobacterium tuberculosis URas-related protein Rab-5A Not Available Humans UCellulase B Not Available Streptomyces lividans UAmicyanin Not Available Paracoccus denitrificans UAminopeptidase S Not Available Streptomyces griseus - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- L-alpha-amino acids
- Alternative Parents
- Thia fatty acids / Sulfoxides / Amino acids / Sulfinyl compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives show 1 more
- Substituents
- Aliphatic acyclic compound / Amine / Amino acid / Carbonyl group / Carboxylic acid / Fatty acid / Fatty acyl / Hydrocarbon derivative / L-alpha-amino acid / Monocarboxylic acid or derivatives show 12 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- L-methionine S-oxide (CHEBI:49031)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- QEFRNWWLZKMPFJ-MFXDVPHUSA-N
- InChI
- InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1
- IUPAC Name
- (2S)-2-azaniumyl-4-[(S)-methanesulfinyl]butanoate
- SMILES
- [H]C([H])([H])[S@](=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
References
- General References
- Not Available
- External Links
- PDB Entries
- 1ek0 / 1f4g / 1nlr / 1sf5 / 1st2 / 1up0 / 1up2 / 1xjo / 2a9e / 2idt … show 32 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 54.0 mg/mL ALOGPS logP -2.4 ALOGPS logP -4.6 Chemaxon logS -0.49 ALOGPS pKa (Strongest Acidic) 1.74 Chemaxon pKa (Strongest Basic) 9.11 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 84.84 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 61.47 m3·mol-1 Chemaxon Polarizability 16.12 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Targets
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Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Thymidylate synthase activity
- Specific Function
- Provides the sole de novo source of dTMP for DNA biosynthesis. This protein also binds to its mRNA thus repressing its own translation.
- Gene Name
- thyA
- Uniprot ID
- P0A884
- Uniprot Name
- Thymidylate synthase
- Molecular Weight
- 30479.475 Da
References
Details2. Possible cellulase CelA1 (Endoglucanase) (Endo-1,4-beta-glucanase) (FI-cmcase) (Carboxymethyl cellulase)
- Kind
- Protein
- Organism
- Mycobacterium tuberculosis
- Pharmacological action
- Unknown
- General Function
- Cellulase activity
- Specific Function
- Not Available
- Gene Name
- celA1
- Uniprot ID
- Q79G13
- Uniprot Name
- Possible cellulase CelA1 (Endoglucanase) (Endo-1,4-beta-glucanase) (FI-cmcase) (Carboxymethyl cellulase)
- Molecular Weight
- 39973.515 Da
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Gtpase activity
- Specific Function
- The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound for...
- Gene Name
- RAB5A
- Uniprot ID
- P20339
- Uniprot Name
- Ras-related protein Rab-5A
- Molecular Weight
- 23658.5 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Streptomyces lividans
- Pharmacological action
- Unknown
- General Function
- Polysaccharide binding
- Specific Function
- Not Available
- Gene Name
- celB
- Uniprot ID
- Q54331
- Uniprot Name
- Cellulase B
- Molecular Weight
- 39239.03 Da
- Kind
- Protein
- Organism
- Paracoccus denitrificans
- Pharmacological action
- Unknown
- General Function
- Electron carrier activity
- Specific Function
- Primary acceptor of electrons from methylamine dehydrogenase. Passes those electrons on either a soluble cytochrome c or to pseudoazurin.
- Gene Name
- mauC
- Uniprot ID
- P22364
- Uniprot Name
- Amicyanin
- Molecular Weight
- 13983.11 Da
- Kind
- Protein
- Organism
- Streptomyces griseus
- Pharmacological action
- Unknown
- General Function
- Serine-type endopeptidase activity
- Specific Function
- An exopeptidase specific for larger hydrophobic amino acids (especially leucine), no cleavage occurs if the next residue is proline (PubMed:8444149).
- Gene Name
- Not Available
- Uniprot ID
- P80561
- Uniprot Name
- Aminopeptidase S
- Molecular Weight
- 45939.31 Da
Drug created at June 13, 2005 13:24 / Updated at July 02, 2020 13:17