RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0115777
RefMet name	Dihydroxyacetone phosphate
Systematic name	(3-hydroxy-2-oxopropoxy)phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	169.998028 (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	C3H7O6P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37815 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)
InChIKey	GNGACRATGGDKBX-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C(=O)COP(=O)(O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Short-chain acids
Sub Class	Short-chain acids
Distribution of Dihydroxyacetone 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 Dihydroxyacetone phosphate
External Links
Pubchem CID	668
ChEBI ID	16108
KEGG ID	C00111
HMDB ID	HMDB0001473
Chemspider ID	648
MetaCyc ID	DIHYDROXY-ACETONE-PHOSPHATE
Spectral data for Dihydroxyacetone phosphate standards
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 Dihydroxyacetone phosphate

Rxn ID	KEGG Reaction	Enzyme
R00842	sn-Glycerol 3-phosphate + NAD+ <=> Glycerone phosphate + NADH + H+	sn-Glycerol-3-phosphate:NAD+ 2-oxidoreductase
R00848	sn-Glycerol 3-phosphate + FAD <=> Glycerone phosphate + FADH2	sn-Glycerol-3-phosphate:(acceptor) 2-oxidoreductase
R01011	ATP + Glycerone <=> ADP + Glycerone phosphate	ATP:glycerone phosphotransferase
R01012	Phosphoenolpyruvate + Glycerone <=> Pyruvate + Glycerone phosphate	phosphoenolpyruvate:glycerone phosphotransferase
R01013	Acyl-CoA + Glycerone phosphate <=> CoA + Acylglycerone phosphate	Acyl-CoA:glycerone-phosphate O-acyltransferase
R01015	D-Glyceraldehyde 3-phosphate <=> Glycerone phosphate	D-glyceraldehyde-3-phosphate aldose-ketose-isomerase
R02568	D-Fructose 1-phosphate <=> Glycerone phosphate + D-Glyceraldehyde	D-fructose 1-phosphate D-glyceraldehyde-3-phosphate-lyase

Table of KEGG human pathways containing Dihydroxyacetone phosphate

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	3
hsa01200	Carbon metabolism	3
hsa00051	Fructose and mannose metabolism	3
hsa00010	Glycolysis / Gluconeogenesis	2
hsa01230	Biosynthesis of amino acids	2
hsa00561	Glycerolipid metabolism	1
hsa01100	Metabolic pathways	1
hsa00030	Pentose phosphate pathway	1
hsa00562	Inositol phosphate metabolism	1