RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136081
RefMet name	Pyruvaldehyde
Systematic name	2-oxopropanal
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	37635 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
InChIKey	AIJULSRZWUXGPQ-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(=O)C=O 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 Pyruvaldehyde 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 Pyruvaldehyde
External Links
Pubchem CID	880
ChEBI ID	17158
KEGG ID	C00546
HMDB ID	HMDB0001167
Chemspider ID	857
MetaCyc ID	METHYL-GLYOXAL
EPA CompTox	DTXCID101628
NPAtlas DB	NP018043
Spectral data for Pyruvaldehyde 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 Pyruvaldehyde

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

Table of KEGG human pathways containing Pyruvaldehyde

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