RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0013440
RefMet name	6-Phosphonoglucono-D-lactone
Systematic name	{[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methoxy}phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	258.014068 (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	C6H11O9P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37617 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H2,11,12,13)/t2-,3-,4+,5-/m1/s1
InChIKey	IJOJIVNDFQSGAB-SQOUGZDYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)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-Phosphonoglucono-D-lactone 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-Phosphonoglucono-D-lactone
External Links
Pubchem CID	439452
ChEBI ID	16938
KEGG ID	C01236
HMDB ID	HMDB0001127
Chemspider ID	388559
MetaCyc ID	D-6-P-GLUCONO-DELTA-LACTONE
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-Phosphonoglucono-D-lactone

Rxn ID	KEGG Reaction	Enzyme
R02035	D-Glucono-1,5-lactone 6-phosphate + H2O <=> 6-Phospho-D-gluconate	6-Phospho-D-glucono-1,5-lactone lactonohydrolase
R02736	beta-D-Glucose 6-phosphate + NADP+ <=> D-Glucono-1,5-lactone 6-phosphate + NADPH + H+	beta-D-glucose-6-phosphate:NADP+ 1-oxoreductase
R10907	beta-D-Glucose 6-phosphate + NAD+ <=> D-Glucono-1,5-lactone 6-phosphate + NADH + H+	beta-D-glucose-6-phosphate:NAD+ 1-oxidoreductase

Table of KEGG human pathways containing 6-Phosphonoglucono-D-lactone

Pathway ID	Human Pathway	# of reactions
hsa00030	Pentose phosphate pathway	3
hsa01200	Carbon metabolism	2
hsa00480	Glutathione metabolism	1
hsa01100	Metabolic pathways	1