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CHEBI:231821 - 3-demethylubiquinone-6(1−)

ChEBI IDCHEBI:231821
ChEBI Name3-demethylubiquinone-6(1−)
Stars
ASCII Name3-demethylubiquinone-6(1-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC38H55O4
Net Charge-1
Average Mass575.854
Monoisotopic Mass575.41058
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)CCC=C(C)C)C1=O
InChIInChI=1S/C38H56O4/c1-27(2)15-10-16-28(3)17-11-18-29(4)19-12-20-30(5)21-13-22-31(6)23-14-24-32(7)25-26-34-33(8)35(39)37(41)38(42-9)36(34)40/h15,17,19,21,23,25,41H,10-14,16,18,20,22,24,26H2,1-9H3/p-1/b28-17+,29-19+,30-21+,31-23+,32-25+
InChIKeyYPBJTTYNKXYYKL-HGJBZHBGSA-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-6(1−) (CHEBI:231821) is a 3-demethylubiquinone(1-) (CHEBI:231825)
3-demethylubiquinone-6(1−) (CHEBI:231821) is a organic molecular entity (CHEBI:50860)
3-demethylubiquinone-6(1−) (CHEBI:231821) is conjugate base of 3-demethylubiquinone-6 (CHEBI:28753)
Incoming Relation(s)
3-demethylubiquinone-6 (CHEBI:28753) is conjugate acid of 3-demethylubiquinone-6(1−) (CHEBI:231821)
UniProt Name  Source
3-demethylubiquinone-6UniProt
Citations