RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136232
RefMet name	Glucose 1,6-bisphosphate
Systematic name	{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl]oxy}phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	339.996056 (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	C6H14O12P2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38350 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	RWHOZGRAXYWRNX-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)OP(=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 1,6-bisphosphate 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 1,6-bisphosphate
External Links
Pubchem CID	82400
ChEBI ID	18148
KEGG ID	C01231
HMDB ID	HMDB0003514
Chemspider ID	74362
MetaCyc ID	ALPHA-GLUCOSE-16-BISPHOSPHATE
Spectral data for Glucose 1,6-bisphosphate 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 1,6-bisphosphate

Rxn ID	KEGG Reaction	Enzyme
R00949	ATP + D-Glucose 1-phosphate <=> ADP + alpha-D-Glucose 1,6-bisphosphate	ATP:D-glucose-1-phosphate 6-phosphotransferase
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

Table of KEGG human pathways containing Glucose 1,6-bisphosphate

Pathway ID	Human Pathway	# of reactions
hsa00500	Starch and sucrose metabolism	1
hsa01100	Metabolic pathways	1