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CHEBI:28026 - plastoquinol-9

ChEBI IDCHEBI:28026
ChEBI Nameplastoquinol-9
Stars
DefinitionA plastoquinol in which an all-E nonaprenyl group is attached to position 5 of 2,3-dimethylhydroquinone.
Secondary ChEBI IDsCHEBI:8260, CHEBI:26160
Last Modified22 October 2012
DownloadsMolfile
FormulaC53H82O2
Net Charge0
Average Mass751.237
Monoisotopic Mass750.63148
SMILESCC(C)=CCC/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/Cc1cc(O)c(C)c(C)c1O
InChIInChI=1S/C53H82O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39,54-55H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+
InChIKeyIJBLJLREWPLEPB-IQSNHBBHSA-N
ChEBI Ontology
Outgoing Relation(s)
plastoquinol-9 (CHEBI:28026) is a plastoquinol (CHEBI:62192)
IUPAC Name 
2,3-dimethyl-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-1,4-diol
Synonyms  Source
(all-E)-2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatricontanonaenyl)-1,4-benzenediolChemIDplus
plastoquinolChemIDplus
plastoquinol AKEGG COMPOUND
UniProt Name  Source
plastoquinol-9UniProt
Manual XrefsDatabases
C16695KEGG COMPOUND
Registry NumbersSources
Reaxys:11124806Reaxys
CAS:3819-09-8ChemIDplus