Identification
- Generic Name
- sn-glycerol 3-phosphate
Commonly known or available as 3-Phosphoglycerol - DrugBank Accession Number
- DB02515
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for sn-glycerol 3-phosphate (DB02515)
- Weight
- Average: 172.0737
Monoisotopic: 172.013674532 - Chemical Formula
- C3H9O6P
- Synonyms
- (R)-glycerol 1-phosphate
- D-(glycerol 1-phosphate)
- D-Glycerol 1-phosphate
- Glycerol-3-phosphate
- Glycerophosphoric acid
- L-(glycerol 3-phosphate)
- Phosphoric acid mono-((R)-2,3-dihydroxy-propyl) ester
- Phosphorsäure-mono-((R)-2,3-dihydroxy-propylester)
- sn-Glycerol 3-phosphate
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 UFructose-bisphosphate aldolase B Not Available Humans UPyridoxine 5'-phosphate synthase Not Available Escherichia coli (strain K12) UTriosephosphate isomerase Not Available Plasmodium falciparum U6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 Not Available Humans - 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
- 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 glycerophosphates. These are compounds containing a glycerol linked to a phosphate group.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Glycerophospholipids
- Sub Class
- Glycerophosphates
- Direct Parent
- Glycerophosphates
- Alternative Parents
- Monoalkyl phosphates / Secondary alcohols / 1,2-diols / Primary alcohols / Organic oxides / Hydrocarbon derivatives
- Substituents
- 1,2-diol / Alcohol / Aliphatic acyclic compound / Alkyl phosphate / Hydrocarbon derivative / Monoalkyl phosphate / Organic oxide / Organic oxygen compound / Organic phosphoric acid derivative / Organooxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- sn-glycerol 3-phosphates, glycerol 1-phosphate (CHEBI:15978)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 370V52HE4B
- CAS number
- 17989-41-2
- InChI Key
- AWUCVROLDVIAJX-GSVOUGTGSA-N
- InChI
- InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
- IUPAC Name
- [(2R)-2,3-dihydroxypropoxy]phosphonic acid
- SMILES
- OC[C@@H](O)COP(O)(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0000126
- KEGG Compound
- C00093
- PubChem Compound
- 439162
- PubChem Substance
- 46508424
- ChemSpider
- 388308
- ChEBI
- 15978
- ChEMBL
- CHEMBL1232920
- ZINC
- ZINC000003830896
- PDBe Ligand
- G3P
- Wikipedia
- Glycerol_3-phosphate
- PDB Entries
- 1dc4 / 1fdj / 1ixn / 1ixo / 1of8 / 1qi1 / 1wbj / 1y38 / 1z82 / 2j9x … show 37 more
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 30.6 mg/mL ALOGPS logP -1.8 ALOGPS logP -2 Chemaxon logS -0.75 ALOGPS pKa (Strongest Acidic) 1.51 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 107.22 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 31.39 m3·mol-1 Chemaxon Polarizability 13.58 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 - 0.7602 Blood Brain Barrier + 0.8183 Caco-2 permeable - 0.7385 P-glycoprotein substrate Non-substrate 0.7181 P-glycoprotein inhibitor I Non-inhibitor 0.8263 P-glycoprotein inhibitor II Non-inhibitor 0.9669 Renal organic cation transporter Non-inhibitor 0.9401 CYP450 2C9 substrate Non-substrate 0.8666 CYP450 2D6 substrate Non-substrate 0.8378 CYP450 3A4 substrate Non-substrate 0.6874 CYP450 1A2 substrate Non-inhibitor 0.9107 CYP450 2C9 inhibitor Non-inhibitor 0.9136 CYP450 2D6 inhibitor Non-inhibitor 0.9306 CYP450 2C19 inhibitor Non-inhibitor 0.8759 CYP450 3A4 inhibitor Non-inhibitor 0.9481 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9696 Ames test Non AMES toxic 0.9132 Carcinogenicity Non-carcinogens 0.6141 Biodegradation Not ready biodegradable 0.5746 Rat acute toxicity 2.0581 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9239 hERG inhibition (predictor II) Non-inhibitor 0.8887
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 133.8835499 predictedDarkChem Lite v0.1.0 [M-H]- 129.6981499 predictedDarkChem Lite v0.1.0 [M-H]- 130.3387499 predictedDarkChem Lite v0.1.0 [M-H]- 129.6106499 predictedDarkChem Lite v0.1.0 [M-H]- 123.663025 predictedDeepCCS 1.0 (2019) [M+H]+ 133.2068499 predictedDarkChem Lite v0.1.0 [M+H]+ 128.7753499 predictedDarkChem Lite v0.1.0 [M+H]+ 133.7798499 predictedDarkChem Lite v0.1.0 [M+H]+ 128.9873499 predictedDarkChem Lite v0.1.0 [M+H]+ 127.49287 predictedDeepCCS 1.0 (2019) [M+Na]+ 132.5166499 predictedDarkChem Lite v0.1.0 [M+Na]+ 129.5256499 predictedDarkChem Lite v0.1.0 [M+Na]+ 126.5965499 predictedDarkChem Lite v0.1.0 [M+Na]+ 128.1727499 predictedDarkChem Lite v0.1.0 [M+Na]+ 136.5121 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Phosphatidylcholine binding
- Specific Function
- Not Available
- Gene Name
- ALDOB
- Uniprot ID
- P05062
- Uniprot Name
- Fructose-bisphosphate aldolase B
- Molecular Weight
- 39472.715 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Pyridoxine 5'-phosphate synthase activity
- Specific Function
- Catalyzes the complicated ring closure reaction between the two acyclic compounds 1-deoxy-D-xylulose-5-phosphate (DXP) and 3-amino-2-oxopropyl phosphate (1-amino-acetone-3-phosphate or AAP) to form...
- Gene Name
- pdxJ
- Uniprot ID
- P0A794
- Uniprot Name
- Pyridoxine 5'-phosphate synthase
- Molecular Weight
- 26384.01 Da
References
- Kind
- Protein
- Organism
- Plasmodium falciparum
- Pharmacological action
- Unknown
- General Function
- Triose-phosphate isomerase activity
- Specific Function
- Not Available
- Gene Name
- TPI
- Uniprot ID
- Q07412
- Uniprot Name
- Triosephosphate isomerase
- Molecular Weight
- 27934.505 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Identical protein binding
- Specific Function
- Synthesis and degradation of fructose 2,6-bisphosphate.
- Gene Name
- PFKFB1
- Uniprot ID
- P16118
- Uniprot Name
- 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1
- Molecular Weight
- 54680.86 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at June 13, 2005 13:24 / Updated at July 02, 2020 13:18