Record Information
Version1.0
Creation date2010-04-08 22:04:51 UTC
Update date2018-01-23 18:48:13 UTC
Primary IDFDB001159
Secondary Accession NumbersNot Available
Chemical Information
FooDB Namealpha-D-Galactopyranose 1-dihydrogen phosphate
DescriptionOccurs in liver, milk, and yeasts Galactose 1-phosphate is an intermediate in the Galactose metabolism; and Nucleotide sugars metabolism pathways (KEGG); Galactose-1-phosphate is an intermediate in the intraconversion of glucose and galactose. It is formed from galactose by galactokinase. (Wikipeida); Galactose-1-phosphate is an intermediate in the intraconversion of glucose and galactose. alpha-D-Galactopyranose 1-dihydrogen phosphate is found in milk and milk products and animal foods.
CAS Number2255-14-3
Structure
Thumb
Synonyms
SynonymSource
1-(Dihydrogen ate) galactitolHMDB
1-(dihydrogen phosphate) Galactitolbiospider
1-ate a-D-GalactopyranoseHMDB
1-O-ONO-a-D-GalactopyranoseGenerator
1-O-ONO-alpha-D-GalactopyranoseChEBI
1-O-ONO-α-D-galactopyranoseGenerator
1-phosphate a-D-Galactopyranosebiospider
a-D-1-(Dihydrogen ate) galactopyranoseHMDB
a-D-1-(dihydrogen phosphate) Galactopyranosebiospider
a-D-Gal-1-PGenerator
a-D-Galactopyranose 1-ateGenerator
a-D-Galactopyranose 1-ic acidGenerator
a-D-Galactopyranose, 1-(dihydrogen ate)Generator
a-D-Galactopyranose, 1-(dihydrogen ic acid)Generator
a-D-Galactopyranosyl ateGenerator
a-D-Galactopyranosyl ic acidGenerator
A-d-galactopyranosyl phosphatebiospider
a-D-Galactose 1-ateGenerator
a-D-Galactose 1-ic acidGenerator
a-D-Galactose 1-phosphatebiospider
a-D-Galactosyl ateGenerator
a-D-Galactosyl ic acidGenerator
A-d-galactosyl phosphatebiospider
alpha-D-1-(Dihydrogen ate) galactopyranoseHMDB
alpha-D-1-(dihydrogen phosphate) Galactopyranosebiospider
alpha-D-Gal-1-PChEBI
alpha-D-Galactopyranose 1-ateChEBI
alpha-D-Galactopyranose 1-ic acidGenerator
alpha-D-Galactopyranose 1-phosphatebiospider
alpha-D-Galactopyranose, 1-(dihydrogen ate)ChEBI
alpha-D-Galactopyranose, 1-(dihydrogen ic acid)Generator
alpha-D-Galactopyranosyl ateChEBI
alpha-D-Galactopyranosyl ic acidGenerator
Alpha-d-galactopyranosyl phosphatebiospider
alpha-D-Galactose 1-ateChEBI
alpha-D-Galactose 1-ic acidGenerator
alpha-D-Galactose 1-phosphatebiospider
alpha-D-Galactosyl ateChEBI
alpha-D-Galactosyl ic acidGenerator
Alpha-d-galactosyl phosphatebiospider
Cori esterbiospider
D-Galactose 1-ateHMDB
D-Galactose 1-phosphatebiospider
Galactopyranose 1-ateHMDB
Galactopyranose 1-phosphatebiospider
Galactose 1-ateHMDB
Galactose 1-phosphatebiospider
Galactose 1-phosphic acidbiospider
Galactose-1-ateChEBI
Galactose-1-ic acidGenerator
α-D-gal-1-PGenerator
α-D-galactopyranose 1-ateGenerator
α-D-galactopyranose 1-ic acidGenerator
α-D-galactopyranose, 1-(dihydrogen ate)Generator
α-D-galactopyranose, 1-(dihydrogen ic acid)Generator
α-D-galactopyranosyl ateGenerator
α-D-galactopyranosyl ic acidGenerator
α-D-galactose 1-ateGenerator
α-D-galactose 1-ic acidGenerator
α-D-galactosyl ateGenerator
α-D-galactosyl ic acidGenerator
Predicted Properties
PropertyValueSource
Water Solubility32.3 g/LALOGPS
logP-2ALOGPS
logP-3.1ChemAxon
logS-0.91ALOGPS
pKa (Strongest Acidic)1.16ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area156.91 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity46.8 m³·mol⁻¹ChemAxon
Polarizability20.83 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC6H13O9P
IUPAC name{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid
InChI IdentifierInChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)
InChI KeyHXXFSFRBOHSIMQ-UHFFFAOYSA-N
Isomeric SMILESOCC1OC(OP(O)(O)=O)C(O)C(O)C1O
Average Molecular Weight260.1358
Monoisotopic Molecular Weight260.029718526
Classification
DescriptionThis compound belongs to the class of chemical entities known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic oxygen compounds
Sub ClassOrganooxygen compounds
Direct ParentMonosaccharide phosphates
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Oxane
  • Alkyl phosphate
  • Phosphoric acid ester
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Primary alcohol
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 27.70%; H 5.04%; O 55.35%; P 11.91%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical Rotation[a]25D +143 (H2O)DFC
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9240000000-4057005941a73b47e92bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9240000000-2b520b8d7520453613e5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9100000000-adafd3ed58bf5371e4a1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a6s-9480000000-6d21f499da6e13bbe38dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9110000000-68aeffe1ebca2d4d4362View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-dfc211275bafe42581aeView in MoNA
ChemSpider ID110443
ChEMBL IDNot Available
KEGG Compound IDC00446
Pubchem Compound ID123912
Pubchem Substance IDNot Available
ChEBI ID17973
Phenol-Explorer IDNot Available
DrugBank IDDB02317
HMDB IDHMDB00645
CRC / DFC (Dictionary of Food Compounds) IDBTZ25-R:BTZ29-V
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID35001
KNApSAcK IDC00007391
HET IDGL1
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDGalactose 1-phosphate
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
Enzymes
NameGene NameUniProt ID
N-acetylgalactosamine kinaseGALK2Q01415
GalactokinaseGALK1P51570
Pathways
NameSMPDB LinkKEGG Link
Galactose MetabolismSMP00043 map00052
Lactose SynthesisSMP00444 Not Available
Nucleotide Sugars MetabolismSMP00010 map00520
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference