RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0038500
RefMet name1,5-Anhydro-mannitol
Systematic name(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
SynonymsPubChem Synonyms
Exact mass164.068475 (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
FormulaC6H12O5View other entries in RefMet with this formula
Molecular descriptors
Molfile57249 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyMPCAJMNYNOGXPB-KVTDHHQDSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC([C@@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic oxygen compounds
Main ClassOrganooxygen compounds
Sub ClassOrganooxygen compounds
Distribution of 1,5-Anhydro-mannitol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 1,5-Anhydro-mannitol
External Links
Pubchem CID445184
ChEBI ID49182
KEGG IDC16538
HMDB IDHMDB0244228
MetaCyc IDCPD-9446
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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