Showing Compound Card for Galactose 1-phosphate (CDB004854)

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Record Information
Version1.0
Created at2020-04-17 18:43:39 UTC
Updated at2020-11-18 16:38:52 UTC
CannabisDB IDCDB004854
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameGalactose 1-phosphate
DescriptionGalactose 1-phosphate, also known as alpha-D-gal-1-p or α-D-gal-1-p, belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. A D-Galactose 1-phosphate having alpha-configuration at the anomeric centre. Galactose 1-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Galactose 1-phosphate exists in all living species, ranging from bacteria to humans. Within humans, galactose 1-phosphate participates in a number of enzymatic reactions. In particular, galactose 1-phosphate can be biosynthesized from D-galactose through the action of the enzyme galactokinase. In addition, galactose 1-phosphate and uridine diphosphate glucose can be biosynthesized from uridine diphosphategalactose and glucose 1-phosphate through its interaction with the enzyme galactose-1-phosphate uridylyltransferase. In humans, galactose 1-phosphate is involved in galactose metabolism. Outside of the human body, Galactose 1-phosphate is found, on average, in the highest concentration within milk (cow). Galactose 1-phosphate has also been detected, but not quantified in, milk and milk products. This could make galactose 1-phosphate a potential biomarker for the consumption of these foods. Galactose 1-phosphate is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1-O-Phosphono-alpha-D-galactopyranoseChEBI
alpha-D-Gal-1-pChEBI
alpha-D-Galactopyranose 1-phosphateChEBI
alpha-D-Galactopyranose, 1-(dihydrogen phosphate)ChEBI
alpha-D-Galactopyranosyl phosphateChEBI
alpha-D-Galactosyl phosphateChEBI
Galactose-1-phosphateChEBI
1-O-Phosphono-a-D-galactopyranoseGenerator
1-O-Phosphono-α-D-galactopyranoseGenerator
a-D-Gal-1-pGenerator
Α-D-gal-1-pGenerator
a-D-Galactopyranose 1-phosphateGenerator
a-D-Galactopyranose 1-phosphoric acidGenerator
alpha-D-Galactopyranose 1-phosphoric acidGenerator
Α-D-galactopyranose 1-phosphateGenerator
Α-D-galactopyranose 1-phosphoric acidGenerator
a-D-Galactopyranose, 1-(dihydrogen phosphate)Generator
a-D-Galactopyranose, 1-(dihydrogen phosphoric acid)Generator
alpha-D-Galactopyranose, 1-(dihydrogen phosphoric acid)Generator
Α-D-galactopyranose, 1-(dihydrogen phosphate)Generator
Α-D-galactopyranose, 1-(dihydrogen phosphoric acid)Generator
a-D-Galactopyranosyl phosphateGenerator
a-D-Galactopyranosyl phosphoric acidGenerator
alpha-D-Galactopyranosyl phosphoric acidGenerator
Α-D-galactopyranosyl phosphateGenerator
Α-D-galactopyranosyl phosphoric acidGenerator
a-D-Galactosyl phosphateGenerator
a-D-Galactosyl phosphoric acidGenerator
alpha-D-Galactosyl phosphoric acidGenerator
Α-D-galactosyl phosphateGenerator
Α-D-galactosyl phosphoric acidGenerator
Galactose-1-phosphoric acidGenerator
Galactose 1-phosphoric acidGenerator
a-D-Galactose-1-phosphateHMDB
a-D-Galactose-1-phosphoric acidHMDB
alpha-D-Galactose-1-phosphoric acidHMDB
Α-D-galactose-1-phosphateHMDB
Α-D-galactose-1-phosphoric acidHMDB
Galactose-1-phosphate, (beta-L-gal)-isomerHMDB
Galactose-1-phosphate, 14C-labeledHMDB
Galactose-1-phosphate, disilver (+1) salt, (D-gal)-isomerHMDB
Galactose-1-phosphate, sodium saltHMDB
Galactose-1-phosphate, (beta-D-gal)-isomerHMDB
1-(Dihydrogen phosphate) galactitolHMDB
1-Phosphate a-D-galactopyranoseHMDB
a-D-1-(Dihydrogen phosphate) galactopyranoseHMDB
a-D-Galactose 1-phosphateHMDB
alpha-D-1-(Dihydrogen phosphate) galactopyranoseHMDB
alpha-D-Galactose 1-phosphateHMDB
D-Galactose 1-phosphateHMDB
Galactopyranose 1-phosphateHMDB
D-Galactopyranose 1-phosphateHMDB
D-Galactopyranose 1-phosphoric acidHMDB
D-Galactose 1-phosphoric acidHMDB
Chemical FormulaC6H13O9P
Average Molecular Weight260.14
Monoisotopic Molecular Weight260.0297
IUPAC Name{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid
Traditional Namegalactose 1 phosphate
CAS Registry Number2255-14-3
SMILES
OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O
InChI Identifier
InChI=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)/t2-,3+,4+,5-,6-/m1/s1
InChI KeyHXXFSFRBOHSIMQ-FPRJBGLDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
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
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
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
Polarizability20.62 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSGalactose 1-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0002-9110000000-ee60e23a7f8053dae6d3Spectrum
Predicted GC-MSGalactose 1-phosphate, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0fsi-5901370000-80b5e0114d382bd45e3fSpectrum
Predicted GC-MSGalactose 1-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_1_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_1_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_1_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_1_4, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_1_5, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_2_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_2_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_2_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_2_4, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_2_5, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_2_6, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_2_7, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_2_8, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_2_9, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_2_10, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_2_11, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_3_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_3_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_3_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_3_4, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSGalactose 1-phosphate, TMS_3_5, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , negativesplash10-004i-9030000000-7fff706c8ccfa4e8ee822017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , negativesplash10-004i-9030000000-7ea4c16f3c1f90045b952017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - , negativesplash10-0002-9000000000-d23bc07bd7bdf7ddce462017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-03dl-1970000000-880e9f60970f0816b8c42020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-001i-0920000000-2cbd9f1121176bb271ef2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 1V, positivesplash10-0002-0090000000-f7a9704c507f875769632020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 2V, positivesplash10-0002-0190000000-190752fd0e6fc69233512020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 4V, positivesplash10-0f72-0490000000-14a970b0e103aee3ac862020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 5V, positivesplash10-000i-0950000000-791dd70d946defe0237d2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 3V, positivesplash10-001r-0890000000-7333cc4fec9c480da18b2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 5V, positivesplash10-000i-0920000000-b0116f36e8c1774e674f2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-000i-0900000000-ce07a8268e9be0a752ea2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-004l-9000000000-771382b82d73a025b9002020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-03di-0900000000-75b95578eec10c7fb1a02020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-00di-0900000000-efd4d199381342fcfd6e2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-014i-0900000000-59a34fd931d5d3eb02ad2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-0f6t-0290000000-e0994816c9da10e9884b2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-004i-0190000000-0871936f57509fe1ab162020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 7V, positivesplash10-00di-0049000000-b5229bec94bbe9e0fe042020-07-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9240000000-4057005941a73b47e92b2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9240000000-2b520b8d7520453613e52015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9100000000-adafd3ed58bf5371e4a12015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a6s-9480000000-6d21f499da6e13bbe38d2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9110000000-68aeffe1ebca2d4d43622015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-dfc211275bafe42581ae2015-09-15View Spectrum
NMRNot Available
Pathways
Pathways
Protein Targets
Enzymes
Protein NameGene NameLocusUniprot IDDetails
Galactose-1-phosphate uridylyltransferaseGALT9p13P07902 details
N-acetylgalactosamine kinaseGALK215q21.1-q21.2Q01415 details
GalactokinaseGALK117q24P51570 details
TransportersNot Available
Metal Bindings
Protein NameGene NameLocusUniprot IDDetails
Galactose-1-phosphate uridylyltransferaseGALT9p13P07902 details
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDHMDB0000645
DrugBank IDDB02317
Phenol Explorer Compound IDNot Available
FoodDB IDFDB001159
KNApSAcK IDC00007391
Chemspider IDNot Available
KEGG Compound IDC00446
BioCyc IDGALACTOSE-1P
BiGG IDNot Available
Wikipedia LinkGalactose_1-phosphate
METLIN IDNot Available
PubChem Compound123912
PDB IDNot Available
ChEBI ID17973
References
General ReferencesNot Available

Enzymes

Enzyme Details
1. Galactose-1-phosphate uridylyltransferase
General function:
Involved in UDP-glucose:hexose-1-phosphate uridylyltransferase activity
Specific function:
Not Available
Gene Name:
GALT
Uniprot ID:
P07902
Molecular weight:
43362.83
Enzyme Details
2. N-acetylgalactosamine kinase
General function:
Involved in galactokinase activity
Specific function:
Acts on GalNAc. Also acts as a galactokinase when galactose is present at high concentrations. May be involved in a salvage pathway for the reutilization of free GalNAc derived from the degradation of complex carbohydrates.
Gene Name:
GALK2
Uniprot ID:
Q01415
Molecular weight:
49234.57
Enzyme Details
3. Galactokinase
General function:
Involved in galactokinase activity
Specific function:
Major enzyme for galactose metabolism.
Gene Name:
GALK1
Uniprot ID:
P51570
Molecular weight:
42271.805