RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0138974
RefMet nameUbiquinol-6
Systematic name2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
SynonymsPubChem Synonyms
Exact mass592.449160 (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
FormulaC39H60O4View other entries in RefMet with this formula
Molecular descriptors
Molfile41980 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C39H60O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-
10)37(35)41/h16,18,20,22,24,26,40-41H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+
InChIKeyDYOSCPIQEYRQEO-LPHQIWJTSA-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/Cc1c(C)c(c(c(c1O)OC)OC)O)/C)/C)/C)/C)/C)C
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPrenol Lipids
Main ClassQuinones and hydroquinones
Sub ClassUbiquinones
Distribution of Ubiquinol-6 in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Ubiquinol-6
External Links
Pubchem CID5813154
ChEBI ID52970
HMDB IDHMDB0012299
Chemspider ID4710167
MetaCyc IDUBIQUINOL-30
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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