RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135887
RefMet name	Glycerol
Systematic name	propane-1,2,3-triol
Synonyms	PubChem Synonyms
Exact mass	92.047345 (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	C3H8O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37092 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKey	PEDCQBHIVMGVHV-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C(CO)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic oxygen compounds
Main Class	Alcohols and polyols
Sub Class	1,2-diols
Distribution of Glycerol in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Glycerol
External Links
Pubchem CID	753
ChEBI ID	17754
KEGG ID	C00116
HMDB ID	HMDB0000131
Chemspider ID	733
MetaCyc ID	GLYCEROL
EPA CompTox	DTXCID40662
Spectral data for Glycerol standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
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 Glycerol

Rxn ID	KEGG Reaction	Enzyme
R00841	sn-Glycerol 3-phosphate + H2O <=> Glycerol + Orthophosphate	sn-glycerol-3-phosphate phosphohydrolase
R00847	ATP + Glycerol <=> ADP + sn-Glycerol 3-phosphate	ATP:glycerol 3-phosphotransferase
R01036	Glycerol + NAD+ <=> D-Glyceraldehyde + NADH + H+	Glycerol:NAD+ oxidoreductase
R01041	Glycerol + NADP+ <=> D-Glyceraldehyde + NADPH + H+	glycerol:NADP+ oxidoreductase
R01351	1-Acylglycerol + H2O <=> Glycerol + Fatty acid	1-acylglycerol acylhydrolase

Table of KEGG human pathways containing Glycerol

Pathway ID	Human Pathway	# of reactions
hsa00561	Glycerolipid metabolism	4
hsa00052	Galactose metabolism	1
hsa01100	Metabolic pathways	1