RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136218
RefMet name	Erythritol
Systematic name	(2R,3S)-butane-1,2,3,4-tetrol
Synonyms	PubChem Synonyms
Exact mass	122.057910 (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	C4H10O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38233 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
InChIKey	UNXHWFMMPAWVPI-ZXZARUISSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]([C@@H](CO)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Sugar alcohols
Distribution of Erythritol in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Erythritol
External Links
Pubchem CID	222285
ChEBI ID	17113
KEGG ID	C00503
HMDB ID	HMDB0002994
Chemspider ID	192963
MetaCyc ID	ERYTHRITOL
EPA CompTox	DTXCID30209867
NPAtlas DB	NP017638
Spectral data for Erythritol standards
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)