RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0133222
RefMet name	Fructose 1-phosphate
Systematic name	D-fructose 1-(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	51156 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5-,6-/m1/s1
InChIKey	HXRNACQBNUPKDX-VRPWFDPXSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[C@H]([C@H]([C@@H](C(COP(=O)(O)O)(O)O1)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-phosphate in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Fructose 1-phosphate
External Links
Pubchem CID	440544
ChEBI ID	37516
KEGG ID	C01094
HMDB ID	HMDB0060467
Spectral data for Fructose 1-phosphate 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-phosphate

Rxn ID	KEGG Reaction	Enzyme
R00866	ATP + D-Fructose <=> ADP + D-Fructose 1-phosphate	ATP:D-fructose 1-phosphotransferase
R02568	D-Fructose 1-phosphate <=> Glycerone phosphate + D-Glyceraldehyde	D-fructose 1-phosphate D-glyceraldehyde-3-phosphate-lyase
R03232	Protein N(pi)-phospho-L-histidine + D-Fructose <=> Protein histidine + D-Fructose 1-phosphate	protein-N(pi)-phosphohistidine:D-fructose 1-phosphotransferase

Table of KEGG human pathways containing Fructose 1-phosphate

Pathway ID	Human Pathway	# of reactions
hsa00051	Fructose and mannose metabolism	2
hsa01100	Metabolic pathways	1