RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135434
RefMet nameUndecaprenol
Systematic name3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42-undecaen-1-ol
SynonymsPubChem Synonyms
Exact mass766.699165 (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
FormulaC55H90OView other entries in RefMet with this formula
Molecular descriptors
Molfile29114 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-3
8-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12
H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+
InChIKeyTXKJNHBRVLCYFX-RDQGWRCRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPrenol Lipids
Main ClassPolyprenols
Sub ClassBactoprenols
Distribution of Undecaprenol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Undecaprenol
External Links
Pubchem CID5280474
LIPID MAPSLMPR03010007
ChEBI ID16591
KEGG IDC01968
MetaCyc IDCPD-188
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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