RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0118216
RefMet nameMannonic acid
Systematic name(2S,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid
SynonymsPubChem Synonyms
Exact mass196.058305 (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
FormulaC6H12O7View other entries in RefMet with this formula
Molecular descriptors
Molfile49937 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5+/m1/s1
InChIKeyRGHNJXZEOKUKBD-MBMOQRBOSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassHydroxy acids
Sub ClassMedium-chain hydroxy acids
Distribution of Mannonic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Mannonic acid
External Links
Pubchem CID3246006
ChEBI ID33076
KEGG IDC00514
HMDB IDHMDB0242119
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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