RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0109018
RefMet name	Fructose 1,6-bisphosphate
Systematic name	[(3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
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	49892 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6?/ m1/s1
InChIKey	RNBGYGVWRKECFJ-VRPWFDPXSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]1[C@H]([C@@H](C(COP(=O)(O)O)(O)O1)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 Fructose 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 Fructose 1,6-bisphosphate
External Links
Pubchem CID	172313
ChEBI ID	37736
KEGG ID	C00354
HMDB ID	HMDB0001058
Spectral data for Fructose 1,6-bisphosphate standards
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 Fructose 1,6-bisphosphate

Rxn ID	KEGG Reaction	Enzyme
R00756	ATP + D-Fructose 6-phosphate <=> ADP + D-Fructose 1,6-bisphosphate	ATP:D-fructose-6-phosphate 1-phosphotransferase
R00762	D-Fructose 1,6-bisphosphate + H2O <=> D-Fructose 6-phosphate + Orthophosphate	D-Fructose-1,6-bisphosphate 1-phosphohydrolase
R01068	D-Fructose 1,6-bisphosphate <=> Glycerone phosphate + D-Glyceraldehyde 3-phosphate	D-fructose-1,6-bisphosphate D-glyceraldehyde-3-phosphate-lyase (glycerone-phosphate-forming)
R05805	ADP + D-Fructose 6-phosphate <=> AMP + D-Fructose 1,6-bisphosphate	ADP:D-fructose-6-phosphate 1-phosphotransferase

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

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	3
hsa01200	Carbon metabolism	1