RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136154
RefMet name	Aminoacetone
Systematic name	1-aminopropan-2-one
Synonyms	PubChem Synonyms
Exact mass	73.052764 (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	C3H7NO	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38035 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3
InChIKey	BCDGQXUMWHRQCB-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(=O)CN Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic oxygen compounds
Main Class	Carbonyl compounds
Sub Class	Other carbonyl compounds
Distribution of Aminoacetone 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 Aminoacetone
External Links
Pubchem CID	215
ChEBI ID	17906
KEGG ID	C01888
HMDB ID	HMDB0002134
Chemspider ID	210
MetaCyc ID	AMINO-ACETONE
EPA CompTox	DTXCID00106430
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 Aminoacetone

Rxn ID	KEGG Reaction	Enzyme
R02529	Aminoacetone + H2O + Oxygen <=> Methylglyoxal + Ammonia + Hydrogen peroxide	aminoacetone:oxygen oxidoreductase(deaminating)

Table of KEGG human pathways containing Aminoacetone

Pathway ID	Human Pathway	# of reactions
hsa00260	Glycine, serine and threonine metabolism	1