RefMet Compound Details

RefMet IDRM0139454
MW structure1395 (View MW Metabolite Database details)
RefMet name4,12-Dihydroxyhexadecanoic acid
Alternative nameFA 16:0;O2
Systematic name4,12-dihydroxy-hexadecanoic acid
SMILESCCCCC(CCCCCCCC(CCC(=O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 16:0;O2 View other entries in RefMet with this sum composition
Exact mass288.230060 (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
FormulaC16H32O4View other entries in RefMet with this formula
InChIInChI=1S/C16H32O4/c1-2-3-9-14(17)10-7-5-4-6-8-11-15(18)12-13-16(19)20/h14-15,17-18H,2-13H2,1H3,(H,19,20)
InChIKeyQXNNRMXGPQQIRN-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassHydroxy FA
Pubchem CID5312760
ChEBI ID165408
Annotation level2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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