Metabolite Glutamate
- Name
- Glutamate
- Description
- Not Available
- Structure
Structure for Glutamate
- Synonyms
- Not Available
- UNII
- J0V4V954NI
- CAS number
- Not Available
- Weight
- Average: 146.1213
Monoisotopic: 146.045332749 - Chemical Formula
- C5H8NO4
- InChI Key
- WHUUTDBJXJRKMK-VKHMYHEASA-M
- InChI
- InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1
- IUPAC Name
- (2S)-2-amino-4-carboxybutanoate
- SMILES
- N[C@@H](CCC(O)=O)C([O-])=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 131.2742391 predictedDarkChem Lite v0.1.0 [M-H]- 121.29918 predictedDeepCCS 1.0 (2019) [M+H]+ 131.4593391 predictedDarkChem Lite v0.1.0 [M+H]+ 123.64526 predictedDeepCCS 1.0 (2019) [M+Na]+ 131.4621391 predictedDarkChem Lite v0.1.0 [M+Na]+ 132.48488 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 4573882
- ChEBI
- 29985
- Wikipedia
- Glutamic_acid
- Predicted Properties
Property Value Source Water Solubility 288.0 mg/mL ALOGPS logP -3.2 ALOGPS logP -3.2 Chemaxon logS 0.24 ALOGPS pKa (Strongest Acidic) 1.88 Chemaxon pKa (Strongest Basic) 9.54 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 103.45 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 42.12 m3·mol-1 Chemaxon Polarizability 13.05 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