RefMet Compound Details

RefMet ID	RM0155944
MW structure	37337 (View MW Metabolite Database details)
RefMet name	Gluconic acid
Systematic name	(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
SMILES	C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	196.058305 (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	C6H12O7	View other entries in RefMet with this formula
InChI	InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
InChIKey	RGHNJXZEOKUKBD-SQOUGZDYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Sugar acids
Pubchem CID	10690
ChEBI ID	33198
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Gluconic acid

Rxn ID	KEGG Reaction	Enzyme
R01519	D-Glucono-1,5-lactone + H2O <=> D-Gluconic acid	D-Glucono-1,5-lactone lactonohydrolase
R01737	ATP + D-Gluconic acid <=> ADP + 6-Phospho-D-gluconate	ATP:D-Gluconate 6-phosphotransferase

Table of KEGG human pathways containing Gluconic acid

Pathway ID	Human Pathway	# of reactions
hsa00030	Pentose phosphate pathway	2
hsa01200	Carbon metabolism	2