Identification
- Generic Name
- D-Glutamic Acid
- DrugBank Accession Number
- DB02517
- Background
Glutamic acid is the most common excitatory neurotransmitter in the central nervous system.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for D-Glutamic Acid (DB02517)
- Weight
- Average: 147.1293
Monoisotopic: 147.053157781 - Chemical Formula
- C5H9NO4
- 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
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UThermolysin Not Available Geobacillus stearothermophilus - 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. View sample adverse effects data in our new Data Library!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 glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Glutamic acid and derivatives
- Alternative Parents
- D-alpha-amino acids / Amino fatty acids / Dicarboxylic acids and derivatives / Amino acids / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Alpha-amino acid / Amine / Amino acid / Amino fatty acid / Carbonyl group / Carboxylic acid / D-alpha-amino acid / Dicarboxylic acid or derivatives / Fatty acid
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- D-alpha-amino acid, glutamic acid (CHEBI:15966) / Other amino acids (C00217)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Q479989WEA
- CAS number
- 6893-26-1
- InChI Key
- WHUUTDBJXJRKMK-GSVOUGTGSA-N
- InChI
- InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
- IUPAC Name
- (2R)-2-aminopentanedioic acid
- SMILES
- N[C@H](CCC(O)=O)C(O)=O
References
- Synthesis Reference
Toshiyuki Hamaoka, Kayoko Tateishi, "Producing highly specific, low cross-reactive antibody by immunizing with copolymer of D-glutamic acid and lysine." U.S. Patent US4722899, issued June, 1985.
US4722899- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0003339
- KEGG Compound
- C00217
- PubChem Compound
- 23327
- PubChem Substance
- 46508281
- ChemSpider
- 21814
- BindingDB
- 26431
- 1428878
- ChEBI
- 15966
- ChEMBL
- CHEMBL76232
- ZINC
- ZINC000000895124
- Guide to Pharmacology
- GtP Drug Page
- PDBe Ligand
- DGL
- PDB Entries
- 148l / 1ay3 / 1c4b / 1cvq / 1cw8 / 1cwz / 1czq / 1d0k / 1eva / 1evb … show 242 more
- MSDS
- Download (47.3 KB)
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 201 °C PhysProp water solubility 8880 mg/L (at 25 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992) - Predicted Properties
Property Value Source Water Solubility 80.6 mg/mL ALOGPS logP -3.5 ALOGPS logP -3.2 Chemaxon logS -0.26 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 3 Chemaxon Polar Surface Area 100.62 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 31.29 m3·mol-1 Chemaxon Polarizability 13.19 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
Property Value Probability Human Intestinal Absorption - 0.6118 Blood Brain Barrier + 0.6942 Caco-2 permeable - 0.8531 P-glycoprotein substrate Non-substrate 0.7026 P-glycoprotein inhibitor I Non-inhibitor 0.9815 P-glycoprotein inhibitor II Non-inhibitor 0.9899 Renal organic cation transporter Non-inhibitor 0.9437 CYP450 2C9 substrate Non-substrate 0.8516 CYP450 2D6 substrate Non-substrate 0.8559 CYP450 3A4 substrate Non-substrate 0.755 CYP450 1A2 substrate Non-inhibitor 0.9045 CYP450 2C9 inhibitor Non-inhibitor 0.9724 CYP450 2D6 inhibitor Non-inhibitor 0.9583 CYP450 2C19 inhibitor Non-inhibitor 0.9729 CYP450 3A4 inhibitor Non-inhibitor 0.9306 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9966 Ames test Non AMES toxic 0.9132 Carcinogenicity Non-carcinogens 0.9232 Biodegradation Ready biodegradable 0.9051 Rat acute toxicity 0.7222 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9761 hERG inhibition (predictor II) Non-inhibitor 0.9798
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 130.0213365 predictedDarkChem Lite v0.1.0 [M-H]- 130.1826365 predictedDarkChem Lite v0.1.0 [M-H]- 129.9854365 predictedDarkChem Lite v0.1.0 [M-H]- 122.95009 predictedDeepCCS 1.0 (2019) [M+H]+ 131.3155365 predictedDarkChem Lite v0.1.0 [M+H]+ 130.7872365 predictedDarkChem Lite v0.1.0 [M+H]+ 130.0377365 predictedDarkChem Lite v0.1.0 [M+H]+ 126.81465 predictedDeepCCS 1.0 (2019) [M+Na]+ 130.6603365 predictedDarkChem Lite v0.1.0 [M+Na]+ 130.0442365 predictedDarkChem Lite v0.1.0 [M+Na]+ 129.4216365 predictedDarkChem Lite v0.1.0 [M+Na]+ 135.92477 predictedDeepCCS 1.0 (2019)
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Geobacillus stearothermophilus
- Pharmacological action
- Unknown
- General Function
- Metalloendopeptidase activity
- Specific Function
- Extracellular zinc metalloprotease.
- Gene Name
- nprS
- Uniprot ID
- P43133
- Uniprot Name
- Thermolysin
- Molecular Weight
- 60616.22 Da
References
Drug created at June 13, 2005 13:24 / Updated at July 02, 2020 13:18