CHEBI:84423 - 3-demethylubiquinol-9

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-demethylubiquinol-9
ChEBI ID CHEBI:84423
Definition A 3-demethylubiquinol in which the polyprenyl chain contains 9 prenyl units.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C53H82O4
Net Charge 0
Average Mass 783.21580
Monoisotopic Mass 782.62131
InChI InChI=1S/C53H82O4/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)50(54)52(56)53(57-12)51(49)55/h21,23,25,27,29,31,33,35,37,54-56H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+
InChIKey ALAJATOGWWBPQT-NSCWJZNLSA-N
SMILES COc1c(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)CCC=C(C)C)c1O
ChEBI Ontology
Outgoing 3-demethylubiquinol-9 (CHEBI:84423) is a 3-demethylubiquinol (CHEBI:84422)
IUPAC Name
3-methoxy-6-methyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzene-1,2,4-triol
Synonym Source
3-demethylubiquinol-9 UniProt
Manual Xref Database
CPD-7158 MetaCyc
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Last Modified
08 March 2017