EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231824 - 3-demethylubiquinone-10(1−)

ChEBI IDCHEBI:231824
ChEBI Name3-demethylubiquinone-10(1−)
Stars
ASCII Name3-demethylubiquinone-10(1-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC58H87O4
Net Charge-1
Average Mass848.330
Monoisotopic Mass847.66098
SMILESCOC1=C([O-])C(=O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O
InChIInChI=1S/C58H88O4/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)55(59)57(61)58(62-13)56(54)60/h23,25,27,29,31,33,35,37,39,41,61H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/p-1/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+
InChIKeyONGWDJKIJUAIOD-AVRCVIBKSA-M
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
3-demethylubiquinone-10(1−) (CHEBI:231824) is a 3-demethylubiquinone(1-) (CHEBI:231825)
3-demethylubiquinone-10(1−) (CHEBI:231824) is a organic molecular entity (CHEBI:50860)
3-demethylubiquinone-10(1−) (CHEBI:231824) is conjugate base of 3-demethylubiquinone-10 (CHEBI:50771)
Incoming Relation(s)
3-demethylubiquinone-10 (CHEBI:50771) is conjugate acid of 3-demethylubiquinone-10(1−) (CHEBI:231824)
UniProt Name  Source
3-demethylubiquinone-10UniProt
Citations