RefMet Compound Details

RefMet IDRM0153112
MW structure72153 (View MW Metabolite Database details)
RefMet name(S)-9-Hydroxy-10-undecenoic acid
Alternative nameFA 11:1(10);9OH[S]
Systematic name9-hydroxyundec-10-enoic acid
SMILESC=C[C@H](CCCCCCCC(=O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 11:1;O View other entries in RefMet with this sum composition
Exact mass200.141245 (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
FormulaC11H20O3View other entries in RefMet with this formula
InChIInChI=1S/C11H20O3/c1-2-10(12)8-6-4-3-5-7-9-11(13)14/h2,10,12H,1,3-9H2,(H,13,14)/t10-/m1/s1
InChIKeyCJUFNYIRKDOQMC-SNVBAGLBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassHydroxy FA
Pubchem CID73242170
ChEBI ID165422
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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