RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0034128
RefMet name	Glucose 1-phosphate
Systematic name	[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] dihydrogen phosphate
Synonyms	PubChem Synonyms
Exact mass	260.029723 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C6H13O9P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	49864 (Download molfile/View MW Metabolite Database details)
InChI	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
InChIKey	HXXFSFRBOHSIMQ-VFUOTHLCSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Hexose phosphates
Distribution of Glucose 1-phosphate in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Glucose 1-phosphate
External Links
Pubchem CID	65533
ChEBI ID	29042
KEGG ID	C00103
HMDB ID	HMDB0001586
Spectral data for Glucose 1-phosphate standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Glucose 1-phosphate

Rxn ID	KEGG Reaction	Enzyme
R00287	UDP-glucose + H2O <=> UMP + D-Glucose 1-phosphate	UDP-glucose glucophosphohydrolase
R00289	UTP + D-Glucose 1-phosphate <=> Diphosphate + UDP-glucose	UTP:alpha-D-glucose-1-phosphate uridylyltransferase
R00949	ATP + D-Glucose 1-phosphate <=> ADP + alpha-D-Glucose 1,6-bisphosphate	ATP:D-glucose-1-phosphate 6-phosphotransferase
R00955	UDP-glucose + alpha-D-Galactose 1-phosphate <=> D-Glucose 1-phosphate + UDP-alpha-D-galactose	UDP-glucose:alpha-D-galactose-1-phosphate uridylyltransferase
R00959	D-Glucose 1-phosphate <=> alpha-D-Glucose 6-phosphate	alpha-D-Glucose 1-phosphate 1,6-phosphomutase
R01660	3-Phospho-D-glyceroyl phosphate + D-Glucose 1-phosphate <=> 3-Phospho-D-glycerate + alpha-D-Glucose 1,6-bisphosphate	3-phospho-D-glyceroyl-phosphate:alpha-D-glucose-1-phosphate 6-phosphotransferase
R02111	Starch + Orthophosphate <=> Amylose + D-Glucose 1-phosphate	1,4-alpha-D-Glucan:orthophosphate alpha-D-glucosyltransferase
R08639	D-Glucose 1-phosphate <=> D-Glucose 6-phosphate	alpha-D-glucose 1,6-phosphomutase

Table of KEGG human pathways containing Glucose 1-phosphate

Pathway ID	Human Pathway	# of reactions
hsa00500	Starch and sucrose metabolism	5
hsa00052	Galactose metabolism	3
hsa00520	Amino sugar and nucleotide sugar metabolism	3
hsa00010	Glycolysis / Gluconeogenesis	1
hsa00040	Pentose and glucuronate interconversions	1
hsa01100	Metabolic pathways	1