Identification
- Generic Name
- L-serine O-sulfate
- DrugBank Accession Number
- DB03497
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for L-serine O-sulfate (DB03497)
- Weight
- Average: 185.156
Monoisotopic: 184.999407651 - Chemical Formula
- C3H7NO6S
- Synonyms
- O-sulfo-L-serine
- O-sulfonato-L-serine
- Serine O-sulfate
- Sulfoserine
Pharmacology
- Indication
Not Available
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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
- Not Available
- 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
- 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
- Sulfuric acid monoesters / Alkyl sulfates / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Alkyl sulfate / Amine / Amino acid / Carbonyl group / Carboxylic acid / Hydrocarbon derivative / L-alpha-amino acid / Monocarboxylic acid or derivatives / Organic nitrogen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- non-proteinogenic L-alpha-amino acid, L-serine derivative, O-sulfoamino acid (CHEBI:15829)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 81K4VO7FNP
- CAS number
- 626-69-7
- InChI Key
- LFZGUGJDVUUGLK-REOHCLBHSA-N
- InChI
- InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
- IUPAC Name
- (2S)-2-amino-3-(sulfooxy)propanoic acid
- SMILES
- N[C@@H](COS(O)(=O)=O)C(O)=O
References
- General References
- Not Available
- External Links
- KEGG Compound
- C02703
- PubChem Compound
- 164701
- PubChem Substance
- 46507668
- ChemSpider
- 144384
- BindingDB
- 17663
- ChEBI
- 15829
- ChEMBL
- CHEMBL28885
- ZINC
- ZINC000004095907
- PDBe Ligand
- OSE
- PDB Entries
- 1ea7 / 1yln / 2pvv / 4hf7 / 5v8d / 6dwq / 6dwr / 6hoo / 7s7d
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 40.7 mg/mL ALOGPS logP -2.4 ALOGPS logP -2.6 Chemaxon logS -0.66 ALOGPS pKa (Strongest Acidic) -2.1 Chemaxon pKa (Strongest Basic) 8.59 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 126.92 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 32.03 m3·mol-1 Chemaxon Polarizability 14.9 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 133.6283437 predictedDarkChem Lite v0.1.0 [M-H]- 132.09294 predictedDeepCCS 1.0 (2019) [M+H]+ 133.8564437 predictedDarkChem Lite v0.1.0 [M+H]+ 134.37125 predictedDeepCCS 1.0 (2019) [M+Na]+ 133.3237437 predictedDarkChem Lite v0.1.0 [M+Na]+ 142.11305 predictedDeepCCS 1.0 (2019)
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52