RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0186591
RefMet name	KDN 9-phosphate
Systematic name	3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonate 9-phosphate
Synonyms	PubChem Synonyms
Exact mass	348.045768 (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	C9H17O12P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	204323 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	KIZXPTJSEKWTPW-QBTAGHCHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1[C@@H]([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)OC1(C(=O)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Sugar acids
Distribution of KDN 9-phosphate 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 KDN 9-phosphate
External Links
Pubchem CID	124037361
KEGG ID	C21383
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 KDN 9-phosphate

Rxn ID	KEGG Reaction	Enzyme
R11439	Phosphoenolpyruvate + D-Mannose 6-phosphate + H2O <=> 3-Deoxy-D-glycero-D-galacto-non-2-ulopyranosonate 9-phosphate + Orthophosphate	phosphoenolpyruvate:D-mannose-6-phosphate 1-(2-carboxy-2-oxoethyl)transferase

Table of KEGG human pathways containing KDN 9-phosphate

Pathway ID	Human Pathway	# of reactions
hsa00520	Amino sugar and nucleotide sugar metabolism	1
hsa01100	Metabolic pathways	1
hsa01250	Biosynthesis of nucleotide sugars	1