Metabolite Methionine
- Name
- Methionine
- Description
- Not Available
- Structure
Structure for Methionine
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 149.211
Monoisotopic: 149.051049291 - Chemical Formula
- C5H11NO2S
- InChI Key
- FFEARJCKVFRZRR-BYPYZUCNSA-N
- InChI
- InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
- IUPAC Name
- (2S)-2-amino-4-(methylsulfanyl)butanoic acid
- SMILES
- CSCC[C@H](N)C(O)=O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 129.9462456 predictedDarkChem Lite v0.1.0 [M-H]- 129.9053456 predictedDarkChem Lite v0.1.0 [M-H]- 130.1057456 predictedDarkChem Lite v0.1.0 [M-H]- 129.9135456 predictedDarkChem Lite v0.1.0 [M-H]- 125.45654 predictedDeepCCS 1.0 (2019) [M-H]- 129.9462456 predictedDarkChem Lite v0.1.0 [M-H]- 129.9053456 predictedDarkChem Lite v0.1.0 [M-H]- 130.1057456 predictedDarkChem Lite v0.1.0 [M-H]- 129.9135456 predictedDarkChem Lite v0.1.0 [M-H]- 125.45654 predictedDeepCCS 1.0 (2019) [M+H]+ 130.5222456 predictedDarkChem Lite v0.1.0 [M+H]+ 133.706351 predictedDarkChem Standard v0.1.0 [M+H]+ 130.7864456 predictedDarkChem Lite v0.1.0 [M+H]+ 130.6656456 predictedDarkChem Lite v0.1.0 [M+H]+ 128.71059 predictedDeepCCS 1.0 (2019) [M+H]+ 130.5222456 predictedDarkChem Lite v0.1.0 [M+H]+ 133.706351 predictedDarkChem Standard v0.1.0 [M+H]+ 130.7864456 predictedDarkChem Lite v0.1.0 [M+H]+ 130.6656456 predictedDarkChem Lite v0.1.0 [M+H]+ 128.71059 predictedDeepCCS 1.0 (2019) [M+Na]+ 130.2746456 predictedDarkChem Lite v0.1.0 [M+Na]+ 130.1455456 predictedDarkChem Lite v0.1.0 [M+Na]+ 130.3304456 predictedDarkChem Lite v0.1.0 [M+Na]+ 130.4174456 predictedDarkChem Lite v0.1.0 [M+Na]+ 137.35616 predictedDeepCCS 1.0 (2019) [M+Na]+ 130.2746456 predictedDarkChem Lite v0.1.0 [M+Na]+ 130.1455456 predictedDarkChem Lite v0.1.0 [M+Na]+ 130.3304456 predictedDarkChem Lite v0.1.0 [M+Na]+ 130.4174456 predictedDarkChem Lite v0.1.0 [M+Na]+ 137.35616 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0000696
- KEGG Compound
- C00073
- ChemSpider
- 5907
- BindingDB
- 50142500
- ChEBI
- 57844
- ChEMBL
- CHEMBL42336
- ZINC
- ZINC000001532529
- PharmGKB
- PA450423
- PDBe Ligand
- MET
- Wikipedia
- Methionine
- Predicted Properties
Property Value Source Water Solubility 23.9 mg/mL ALOGPS logP -1.8 ALOGPS logP -2.2 Chemaxon logS -0.8 ALOGPS pKa (Strongest Acidic) 2.53 Chemaxon pKa (Strongest Basic) 9.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 63.32 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 37.59 m3·mol-1 Chemaxon Polarizability 15.5 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