Record Information
Version1.0
Creation date2011-09-21 00:23:23 UTC
Update date2015-07-21 06:57:29 UTC
Primary IDFDB023021
Secondary Accession NumbersNot Available
Chemical Information
FooDB Namebeta-Glycerophosphoric acid
DescriptionGlycerol-2-phosphate is a component of glycerolipid metabolism. It is formed in minor quanitites, as the alpha glycerophosphorate is preferentially formed in this manner. Also used as a biological buffer (Sigma-Aldrich) [HMDB]
CAS Number17181-54-3
Structure
Thumb
Synonyms
SynonymSource
1,2,3-Propanetriol, 2-(dihydrogen phosphate)ChEBI
1,3-Hydroxy-2-propyl dihydrogen phosphateChEBI
2-GlycerophosphateChEBI
2-HYDROXY-1-(hydroxymethyl)ethyl dihydrogen phosphATEChEBI
beta-GlycerophosphateChEBI
1,2,3-Propanetriol, 2-(dihydrogen phosphoric acid)Generator
1,3-Hydroxy-2-propyl dihydrogen phosphoric acidGenerator
2-Glycerophosphoric acidGenerator
2-HYDROXY-1-(hydroxymethyl)ethyl dihydrogen phosphoric acidGenerator
b-GlycerophosphateGenerator
b-Glycerophosphoric acidGenerator
Β-glycerophosphateGenerator
Β-glycerophosphoric acidGenerator
beta-GlycerophosphorateHMDB
Glycerol-2-phosphateHMDB
beta-Glycerol phosphateHMDB
beta-Glycerophosphoric acid, calcium saltHMDB
beta-Glycerophosphoric acid, disodium saltHMDB
beta-Glycerophosphoric acid, sodium saltHMDB
beta-Glycerophosphoric acid, calcium salt (1:1)HMDB
beta-Glycerophosphoric acid, iron saltHMDB
beta-Glycerophosphoric acid, iron(3+) salt(3:2)HMDB
Glycerol 2-phosphoric acidHMDB
beta-Glycerophosphoric acidChEBI
BGAHMDB
Glycerol 2-phosphateHMDB
Dihydrogen beta-glycerophosphateHMDB
Dihydrogen β-glycerophosphateHMDB
beta-Glyceryl phosphateHMDB
β-Glyceryl phosphateHMDB
1,2,3-Propanetriol, 2-(dihydrogen ate)ChEBI
1,2,3-Propanetriol, 2-(dihydrogen ic acid)Generator
1,3-Hydroxy-2-propyl dihydrogen ateChEBI
1,3-Hydroxy-2-propyl dihydrogen ic acidGenerator
2-glyceroateChEBI
2-glyceroic acidGenerator
2-HYDROXY-1-(hydroxymethyl)ethyl dihydrogen ATEChEBI
2-HYDROXY-1-(hydroxymethyl)ethyl dihydrogen ic acidGenerator
b-glyceroateGenerator
b-glyceroic acidGenerator
beta-glyceroateGenerator
beta-glyceroic acidGenerator
beta-GlyceroOrateHMDB
beta-glycerooric acidChEBI
Glycerol 2-ateChEBI
Glycerol 2-ic acidGenerator
Glycerol-2-ateHMDB
Glycerol-2-phosphic acidhmdb
β-glyceroateGenerator
β-glyceroic acidGenerator
Predicted Properties
PropertyValueSource
Water Solubility30.7 g/LALOGPS
logP-1.8ALOGPS
logP-2ChemAxon
logS-0.75ALOGPS
pKa (Strongest Acidic)1.13ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area107.22 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity31.39 m³·mol⁻¹ChemAxon
Polarizability13.29 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC3H9O6P
IUPAC name[(1,3-dihydroxypropan-2-yl)oxy]phosphonic acid
InChI IdentifierInChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
InChI KeyDHCLVCXQIBBOPH-UHFFFAOYSA-N
Isomeric SMILESOCC(CO)OP(O)(O)=O
Average Molecular Weight172.0737
Monoisotopic Molecular Weight172.013674532
Classification
Description belongs to the class of organic compounds known as glycerophosphates. Glycerophosphates are compounds containing a glycerol linked to a phosphate group.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerophospholipids
Sub ClassGlycerophosphates
Direct ParentGlycerophosphates
Alternative Parents
Substituents
  • Sn-glycerol-2-phosphate
  • Monoalkyl phosphate
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - GC-MS (4 TMS)splash10-0gvp-1792000000-c48ad0477aac597f9e48View in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0gwe-0981000000-ffc7c737ad151bab34f4View in MoNA
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-0gvp-1792000000-c48ad0477aac597f9e48View in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0gvn-0971000000-02ef7a6a93f26d18e2e9View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9100000000-f3b980cd6beaf038fb5cView in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positivesplash10-0gi0-5930000000-043db2c19de48a1a22adView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , negativesplash10-004i-9200000000-494acb690fc0f406808aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00ba-9100000000-767830ab29256b7438a7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9300000000-ea2a52269bc5d4ed4c52View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9000000000-6692d72b52d1a7b9adeeView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-5900000000-6fc5f19f68de2c6954f8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9300000000-ff45373c539658924e8cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-3c7e37432300e646a900View in MoNA
ChemSpider ID2431
ChEMBL IDCHEMBL1232903
KEGG Compound IDC02979
Pubchem Compound ID2526
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDDB01779
HMDB IDHMDB02520
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDG2H
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference