RefMet Compound Details

MW structure	37534 (View MW Metabolite Database details)
RefMet name	Acetaldehyde
Systematic name	acetaldehyde
SMILES	CC=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	44.026215 (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	C2H4O	View other entries in RefMet with this formula
InChI	InChI=1S/C2H4O/c1-2-3/h2H,1H3
InChIKey	IKHGUXGNUITLKF-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic oxygen compounds
Main Class	Carbonyl compounds
Sub Class	Short-chain aldehydes
Pubchem CID	177
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Acetaldehyde

Rxn ID	KEGG Reaction	Enzyme
R09127	Ethanol + 2 Ferricytochrome cL <=> Acetaldehyde + 2 Ferrocytochrome cL + 2 H+	ethanol:cytochrome c oxidoreductase
R09479	Ethanol + Ubiquinone <=> Acetaldehyde + Ubiquinol	ethanol:quinone oxidoreductase
R00711	Acetaldehyde + NADP+ + H2O <=> Acetate + NADPH + H+	Acetaldehyde:NADP+ oxidoreductase
R05198	Ethanol + 2 Ferricytochrome c <=> 2 Ferrocytochrome c + Acetaldehyde + 2 H+	ethanol:cytochrome c oxidoreductase
R00710	Acetaldehyde + NAD+ + H2O <=> Acetate + NADH + H+	Acetaldehyde:NAD+ oxidoreductase
R00748	Ethanolamine phosphate + H2O <=> Acetaldehyde + Ammonia + Orthophosphate	ethanolamine-phosphate phosphate-lyase (deaminating
R00754	Ethanol + NAD+ <=> Acetaldehyde + NADH + H+	ethanol:NAD+ oxidoreductase
R00746	Ethanol + NADP+ <=> Acetaldehyde + NADPH + H+	Ethanol:NADP+ oxidoreductase

Table of KEGG human pathways containing Acetaldehyde

Pathway ID	Human Pathway	# of reactions
hsa00010	Glycolysis / Gluconeogenesis	4
hsa01100	Metabolic pathways	3
hsa00564	Glycerophospholipid metabolism	1
hsa00620	Pyruvate metabolism	1