RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0155906
RefMet name	Muramic acid
Systematic name	2-(3-amino-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl)oxypropionic acid
Synonyms	PubChem Synonyms
Exact mass	251.100504 (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	C9H17NO7	View other entries in RefMet with this formula
Molecular descriptors
Molfile	53305 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9?/m1/s1
InChIKey	MSFSPUZXLOGKHJ-PGYHGBPZSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@H](C(=O)O)O[C@@H]1[C@H](C(O)O[C@H](CO)[C@H]1O)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Amino sugars
Distribution of Muramic acid 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 Muramic acid
External Links
Pubchem CID	441038
ChEBI ID	7027
KEGG ID	C06470
HMDB ID	HMDB0003254
MetaCyc ID	CPD0-1520
Spectral data for Muramic acid standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)