RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0020434
RefMet name1,2,3-Butanetriol
Systematic namebutane-1,2,3-triol
SynonymsPubChem Synonyms
Exact mass106.062995 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC4H10O3View other entries in RefMet with this formula
Molecular descriptors
Molfile46679 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3
InChIKeyYAXKTBLXMTYWDQ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(C(CO)O)O
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Chemical/Biochemical Classification
Super ClassOrganic oxygen compounds
Main ClassAlcohols and polyols
Sub Class1,2-diols
Distribution of 1,2,3-Butanetriol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 1,2,3-Butanetriol
External Links
Pubchem CID20497
ChEBI ID131388
HMDB IDHMDB0034778
Chemspider ID19304
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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