Metabolite Selenocysteine
- Name
- Selenocysteine
- Description
- Not Available
- Structure
Structure for Selenocysteine
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 168.05
Monoisotopic: 168.964200301 - Chemical Formula
- C3H7NO2Se
- InChI Key
- ZKZBPNGNEQAJSX-UHFFFAOYSA-N
- InChI
- InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
- IUPAC Name
- 2-amino-3-selanylpropanoic acid
- SMILES
- NC(C[SeH])C(O)=O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 123.290115 predictedDeepCCS 1.0 (2019) [M+H]+ 126.09091 predictedDeepCCS 1.0 (2019) [M+Na]+ 134.2595 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 828
- ChEBI
- 9093
- Wikipedia
- Selenocysteine
- Predicted Properties
Property Value Source Water Solubility 325.0 mg/mL ALOGPS logP -3.2 ALOGPS logP -4.1 Chemaxon logS 0.29 ALOGPS pKa (Strongest Acidic) 1.27 Chemaxon pKa (Strongest Basic) 8.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 63.32 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 33.45 m3·mol-1 Chemaxon Polarizability 10.77 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