L-glyceraldehyde 3-phosphate (CHEM042286)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-27 01:57:27 UTC
Update Date2016-11-09 01:22:38 UTC
Accession NumberCHEM042286
Identification
Common NameL-glyceraldehyde 3-phosphate
ClassSmall Molecule
DescriptionAn organophosphate oxoanion taht is the dianion of glyceraldehyde 3-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Glyceraldehyde 3-phosphateChEBI
Glyceraldehyde 3-phosphate dianionChEBI
Glyceraldehyde 3-phosphoric acidGenerator
Glyceraldehyde 3-phosphoric acid dianionGenerator
Glyceraldehyde 3-phosphoric acid(2-)Generator
L-Glyceraldehyde 3-phosphoric acidGenerator
Glyceraldehyde 3 phosphateMeSH
3 PhosphoglyceraldehydeMeSH
Chemical FormulaC3H5O6P
Average Molecular Mass168.042 g/mol
Monoisotopic Mass167.983 g/mol
CAS Registry NumberNot Available
IUPAC Name2-hydroxy-3-(phosphonatooxy)propanal
Traditional Nameglyceraldehyde 3-phosphate(2-)
SMILESOC(COP([O-])([O-])=O)C=O
InChI IdentifierInChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/p-2
InChI KeyLXJXRIRHZLFYRP-UHFFFAOYSA-L
Chemical Taxonomy
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
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Alpha-hydroxyaldehyde
  • Secondary alcohol
  • Organic oxide
  • Hydrocarbon derivative
  • Carbonyl group
  • Aldehyde
  • Alcohol
  • Organic anion
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility59.9 g/LALOGPS
logP-1.2ALOGPS
logP-1.8ChemAxon
logS-0.53ALOGPS
pKa (Strongest Acidic)1.4ChemAxon
pKa (Strongest Basic)-3.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area109.72 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity28.09 m³·mol⁻¹ChemAxon
Polarizability12.02 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0304402
FooDB IDFDB030966
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDCPD0-2032
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID559066
ChEBI ID58027
PubChem Compound ID643984
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=16697986