RefMet Compound Details

MW structure51256 (View MW Metabolite Database details)
RefMet nameInositol 4-phosphate
Systematic namemagnesium;carbanide;bromide
SMILESO[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]1O
Exact mass260.029723 (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
FormulaC6H13O9PView other entries in RefMet with this formula
InChIInChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1
InChIKeyINAPMGSXUVUWAF-CNWJWELYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic oxygen compounds
Main ClassAlcohols and polyols
Sub ClassInositols
Pubchem CID440043
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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