RefMet Compound Details

MW structure	37635 (View MW Metabolite Database details)
RefMet name	Pyruvaldehyde
Systematic name	2-oxopropanal
SMILES	CC(=O)C=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	72.021130 (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	C3H4O2	View other entries in RefMet with this formula
InChI	InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
InChIKey	AIJULSRZWUXGPQ-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic oxygen compounds
Main Class	Carbonyl compounds
Sub Class	Other carbonyl compounds
Pubchem CID	880
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Pyruvaldehyde

Rxn ID	KEGG Reaction	Enzyme
R02530	(R)-S-Lactoylglutathione <=> Glutathione + Methylglyoxal	(R)-S-Lactoylglutathione methylglyoxal-lyase (isomerizing)
R02527	(R)-Lactaldehyde + NAD+ <=> Methylglyoxal + NADH + H+	(R)-Lactaldehyde:NAD+ oxidoreductase
R02529	Aminoacetone + H2O + Oxygen <=> Methylglyoxal + Ammonia + Hydrogen peroxide	aminoacetone:oxygen oxidoreductase(deaminating)

Table of KEGG human pathways containing Pyruvaldehyde

Pathway ID	Human Pathway	# of reactions
hsa00620	Pyruvate metabolism	2
hsa00260	Glycine, serine and threonine metabolism	1