Record Information
Version1.0
Creation date2020-04-20 17:24:49 UTC
Update date2020-09-17 15:40:20 UTC
Primary IDFDB112169
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameGlyceraldehyde 3-phosphate
DescriptionGlyceraldehyde 3-phosphate, also known as 3-phosphoglyceraldehyde or GAP, belongs to the class of organic compounds known as glyceraldehyde-3-phosphates. Glyceraldehyde-3-phosphates are compounds containing a glyceraldehyde substituted at position O3 by a phosphate group. This is the process by which glycerol (as DHAP) enters the glycolytic and gluconeogenesis pathways. G3P is formed from fructose 1,6-bisphosphate, dihydroxyacetone phosphate (DHAP), and 1,3-bisphosphoglycerate (1,3BPG). Glyceraldehyde 3-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Glyceraldehyde 3-phosphate (G3P) or triose phosphate is an aldotriose, an important metabolic intermediate in both glycolysis and gluconeogenesis, and in tryptophan biosynthesis. Glyceraldehyde 3-phosphate exists in all living species, ranging from bacteria to humans. In humans, glyceraldehyde 3-phosphate is involved in the metabolic disorder called the transaldolase deficiency pathway.
CAS NumberNot Available
Structure
Thumb
Synonyms
SynonymSource
2-Hydroxy-3-(phosphonooxy)propanalChEBI
3-PhosphoglyceraldehydeChEBI
DL-Glyceraldehyde 3-phosphateChEBI
GAPChEBI
Gliceraldehido-3-fosfatoChEBI
Glyceraldehyde 3-(dihydrogen phosphate)ChEBI
Glyceraldehyde-3-phosphateChEBI
Glycerinaldehyd-3-phosphatChEBI
Glyzerinaldehyd-3-phosphatChEBI
DL-Glyceraldehyde 3-phosphoric acidGenerator
Glyceraldehyde 3-(dihydrogen phosphoric acid)Generator
Glyceraldehyde-3-phosphoric acidGenerator
Glyceraldehyde 3-phosphoric acidGenerator
D-Glyceraldehyde 3-phosphoric acidHMDB
2-Hydroxy-3-(phosphonooxy)-propanalHMDB
D-Glyceraldehyde-3-pHMDB
Glyceraldehyde-3-pHMDB
Glyceraldehyde-pHMDB
Glyceraldehyde-phosphateHMDB
3 PhosphoglyceraldehydeHMDB
Glyceraldehyde 3 phosphateHMDB
Glyceraldehyde 3-phosphateMeSH, HMDB
Predicted Properties
PropertyValueSource
Water Solubility20.5 g/LALOGPS
logP-1.7ALOGPS
logP-1.8ChemAxon
logS-0.92ALOGPS
pKa (Strongest Acidic)1.4ChemAxon
pKa (Strongest Basic)-3.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area104.06 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity30.33 m³·mol⁻¹ChemAxon
Polarizability12.61 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC3H7O6P
IUPAC name(2-hydroxy-3-oxopropoxy)phosphonic acid
InChI IdentifierInChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)
InChI KeyLXJXRIRHZLFYRP-UHFFFAOYSA-N
Isomeric SMILESOC(COP(O)(O)=O)C=O
Average Molecular Weight170.0578
Monoisotopic Molecular Weight169.998024468
Classification
Description Belongs to the class of organic compounds known as glyceraldehyde-3-phosphates. Glyceraldehyde-3-phosphates are compounds containing a glyceraldehyde substituted at position O3 by a phosphate group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentGlyceraldehyde-3-phosphates
Alternative Parents
Substituents
  • Glyceraldehyde-3-phosphate
  • Monoalkyl phosphate
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Alpha-hydroxyaldehyde
  • Secondary alcohol
  • Organic oxide
  • Hydrocarbon derivative
  • Carbonyl group
  • Aldehyde
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
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
EI-MS/GC-MS
TypeDescriptionSplash KeyView
GC-MSGlyceraldehyde 3-phosphate, non-derivatized, GC-MS Spectrumsplash10-0m5s-3952000000-862ad552658a2dad7631Spectrum
GC-MSGlyceraldehyde 3-phosphate, non-derivatized, GC-MS Spectrumsplash10-03dj-2943000000-879f36e9ffb61cdb7e7eSpectrum
GC-MSGlyceraldehyde 3-phosphate, non-derivatized, GC-MS Spectrumsplash10-0m5s-3952000000-862ad552658a2dad7631Spectrum
GC-MSGlyceraldehyde 3-phosphate, non-derivatized, GC-MS Spectrumsplash10-03dj-2943000000-879f36e9ffb61cdb7e7eSpectrum
Predicted GC-MSGlyceraldehyde 3-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0002-9300000000-7c325d284fb0e3770da5Spectrum
Predicted GC-MSGlyceraldehyde 3-phosphate, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-00xs-9720000000-2a59591392eaadc8cb67Spectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , negativesplash10-002b-9000000000-6e7cef3b048204ad747cSpectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 0V, positivesplash10-00di-1900000000-f7a7b256e1a0b030f168Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 0V, positivesplash10-00di-2900000000-eacc8d6b246e46b2340fSpectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 1V, positivesplash10-00dj-4900000000-a66af0aa75aba70cb82aSpectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 1V, positivesplash10-006t-7900000000-8b419c2e8472f9f74a49Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 2V, positivesplash10-006t-9600000000-6504648a31d96ef44d49Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 2V, positivesplash10-0002-9400000000-5a167503e18109d4af5bSpectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 3V, positivesplash10-0002-9200000000-76cd396626689c9235beSpectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 3V, positivesplash10-0002-9100000000-9b592d8b0cba5a7af4c8Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 4V, positivesplash10-0002-9100000000-7a7901afb70f6d8627c9Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 4V, positivesplash10-0002-9000000000-bcb4ecbf7bc0e3ce3164Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 5V, positivesplash10-0002-9000000000-13cecd1b3662f69b69d2Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 6V, positivesplash10-0002-9000000000-ad2b828477c8005d6ec0Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 7V, positivesplash10-0002-9000000000-c4278124075952af95f1Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 9V, positivesplash10-0002-9000000000-4387fd6f7164cef7bd72Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 11V, positivesplash10-0002-9000000000-4c200ed3c50ff96956b6Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 13V, positivesplash10-0002-9000000000-c9b13016720f097cecbcSpectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 16V, positivesplash10-0002-9000000000-f2389881e7483c78942fSpectrum
MS/MSLC-MS/MS Spectrum - n/a 11V, positivesplash10-0005-9700000000-3e08f8453aeb088eee03Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-4900000000-416f405681faaf774486Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-9300000000-e5728592219561b9203cSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9000000000-eeb354dbde88d3794c6dSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-016r-6900000000-50b19733dd05329d82c9Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-22bcce954e030ff911edSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-5dbce0b156c269157c00Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
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