RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0155969
RefMet name	Phosphoribosyl pyrophosphate
Systematic name	{[(2R,3S,4R,5R)-3,4-dihydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}oxolan-2-yl]methoxy}phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	389.951824 (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	C5H13O14P3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37178 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3- ,4-,5-/m1/s1
InChIKey	PQGCEDQWHSBAJP-TXICZTDVSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=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	Pentose phosphates
Distribution of Phosphoribosyl pyrophosphate 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 Phosphoribosyl pyrophosphate
External Links
Pubchem CID	7339
ChEBI ID	17111
KEGG ID	C00119
HMDB ID	HMDB0000280
Chemspider ID	7062
MetaCyc ID	PRPP
EPA CompTox	DTXCID10207700
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 Phosphoribosyl pyrophosphate

Rxn ID	KEGG Reaction	Enzyme
R01049	ATP + D-Ribose 5-phosphate <=> AMP + 5-Phospho-alpha-D-ribose 1-diphosphate	ATP:D-ribose-5-phosphate diphosphotransferase

Table of KEGG human pathways containing Phosphoribosyl pyrophosphate

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	2
hsa00030	Pentose phosphate pathway	1
hsa00240	Pyrimidine metabolism	1
hsa00250	Alanine, aspartate and glutamate metabolism	1
hsa01200	Carbon metabolism	1
hsa01230	Biosynthesis of amino acids	1