RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0156373
RefMet name	Dihydroxyacetone
Systematic name	1,3-dihydroxypropan-2-one
Synonyms	PubChem Synonyms
Exact mass	90.031695 (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	C3H6O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37907 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
InChIKey	RXKJFZQQPQGTFL-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C(=O)CO)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Trioses
Distribution of Dihydroxyacetone 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
External Links
Pubchem CID	670
ChEBI ID	16016
KEGG ID	C00184
HMDB ID	HMDB0001882
Chemspider ID	650
MetaCyc ID	DIHYDROXYACETONE
EPA CompTox	DTXCID003192
Spectral data for Dihydroxyacetone 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 Dihydroxyacetone

Rxn ID	KEGG Reaction	Enzyme
R01011	ATP + Glycerone <=> ADP + Glycerone phosphate	ATP:glycerone phosphotransferase
R01012	Phosphoenolpyruvate + Glycerone <=> Pyruvate + Glycerone phosphate	phosphoenolpyruvate:glycerone phosphotransferase

Table of KEGG human pathways containing Dihydroxyacetone

Pathway ID	Human Pathway	# of reactions
hsa00561	Glycerolipid metabolism	1
hsa01100	Metabolic pathways	1
hsa01200	Carbon metabolism	1