RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0034698
RefMet name	Glyceraldehyde
Systematic name	2,3-dihydroxypropanal
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	50888 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1
InChIKey	MNQZXJOMYWMBOU-VKHMYHEASA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(=O)[C@@H](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 Glyceraldehyde 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 Glyceraldehyde
External Links
Pubchem CID	79014
ChEBI ID	5445
KEGG ID	C00577
HMDB ID	HMDB0001051
MetaCyc ID	GLYCERALD
Spectral data for Glyceraldehyde standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR 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 Glyceraldehyde

Rxn ID	KEGG Reaction	Enzyme
R01036	Glycerol + NAD+ <=> D-Glyceraldehyde + NADH + H+	Glycerol:NAD+ oxidoreductase
R01041	Glycerol + NADP+ <=> D-Glyceraldehyde + NADPH + H+	glycerol:NADP+ oxidoreductase
R01059	ATP + D-Glyceraldehyde <=> ADP + D-Glyceraldehyde 3-phosphate	ATP:D-glyceraldehyde 3-phosphotransferase
R01752	D-Glyceraldehyde + NAD+ + H2O <=> D-Glycerate + NADH + H+	D-Glyceraldehyde:NAD+ oxidoreductase

Table of KEGG human pathways containing Glyceraldehyde

Pathway ID	Human Pathway	# of reactions
hsa00561	Glycerolipid metabolism	3
hsa00051	Fructose and mannose metabolism	1