RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0155906
RefMet nameMuramic acid
Systematic name2-(3-amino-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl)oxypropionic acid
SynonymsPubChem Synonyms
Exact mass251.100504 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC9H17NO7View other entries in RefMet with this formula
Molecular descriptors
Molfile53305 (Download molfile/View MW Metabolite Database details)
InChIInChI=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
InChIKeyMSFSPUZXLOGKHJ-PGYHGBPZSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[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 ClassCarbohydrates
Main ClassMonosaccharides
Sub ClassAmino sugars
Distribution of Muramic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Muramic acid
External Links
Pubchem CID441038
ChEBI ID7027
KEGG IDC06470
HMDB IDHMDB0003254
MetaCyc IDCPD0-1520
Spectral data for Muramic acid standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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