RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0155882
RefMet name	6-Phosphogluconic acid
Systematic name	(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)hexanoic acid
Synonyms	PubChem Synonyms
Exact mass	276.024638 (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	C6H13O10P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37723 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
InChIKey	BIRSGZKFKXLSJQ-SQOUGZDYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@H]([C@H]([C@@H]([C@H](C(=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 6-Phosphogluconic acid 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 6-Phosphogluconic acid
External Links
Pubchem CID	91493
ChEBI ID	48928
KEGG ID	C00345
HMDB ID	HMDB0001316
Chemspider ID	82615
MetaCyc ID	CPD-2961
Spectral data for 6-Phosphogluconic acid 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 6-Phosphogluconic acid

Rxn ID	KEGG Reaction	Enzyme
R01528	6-Phospho-D-gluconate + NADP+ <=> D-Ribulose 5-phosphate + CO2 + NADPH + H+	6-phospho-D-gluconate:NADP+ 2-oxidoreductase (decarboxylating)
R01737	ATP + D-Gluconic acid <=> ADP + 6-Phospho-D-gluconate	ATP:D-Gluconate 6-phosphotransferase
R02035	D-Glucono-1,5-lactone 6-phosphate + H2O <=> 6-Phospho-D-gluconate	6-Phospho-D-glucono-1,5-lactone lactonohydrolase
R10221	6-Phospho-D-gluconate + NAD+ <=> D-Ribulose 5-phosphate + CO2 + NADH + H+	6-phospho-D-gluconate:NAD+ 2-oxidoreductase (decarboxylating)

Table of KEGG human pathways containing 6-Phosphogluconic acid

Pathway ID	Human Pathway	# of reactions
hsa00030	Pentose phosphate pathway	4
hsa01200	Carbon metabolism	2
hsa00480	Glutathione metabolism	1