EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:75402 - 2-methyl-6-all-trans-nonaprenyl-1,4-benzoquinone

ChEBI IDCHEBI:75402
ChEBI Name2-methyl-6-all-trans-nonaprenyl-1,4-benzoquinone
Stars
ASCII Name2-methyl-6-all-trans-nonaprenyl-1,4-benzoquinone
DefinitionA polyprenylhydroquinone that is 2-methylbenzene-1,4-diol substituted by a all-trans-nonaprenyl group at position 6.
Secondary ChEBI IDCHEBI:81191
Last Modified25 September 2024
SubmitterKAX
DownloadsMolfile
FormulaC52H80O2
Net Charge0
Average Mass737.210
Monoisotopic Mass736.61583
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)cc(C)c1O
InChIInChI=1S/C52H80O2/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-50-39-51(53)38-49(11)52(50)54/h20,22,24,26,28,30,32,34,36,38-39,53-54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+
InChIKeySWKACZQJGXABCN-JSGWLJPKSA-N
ChEBI Ontology
Outgoing Relation(s)
2-methyl-6-all-trans-nonaprenyl-1,4-benzoquinone (CHEBI:75402) is a dihydroxytoluene (CHEBI:64532)
2-methyl-6-all-trans-nonaprenyl-1,4-benzoquinone (CHEBI:75402) is a polyprenylhydroquinone (CHEBI:26253)
IUPAC Name 
2-methyl-6-[(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
2-methyl-6-solanyl-1,4-benzoquinoneSUBMITTER
MSBQKEGG COMPOUND
2-methyl-6-solanyl-1,4-benzoquinolKEGG COMPOUND
2-methyl-6-all-trans-nonaprenylbenzene-1,4-diolKEGG COMPOUND
2-methyl-6-solanesylbenzene-1,4-diolKEGG COMPOUND
UniProt Name  Source
2-methyl-6-(all-trans-nonaprenyl)benzene-1,4-diolUniProt
Manual XrefsDatabases
C17570KEGG COMPOUND
2-METHYL-6-SOLANYL-14-BENZOQUINONEMetaCyc
Registry NumbersSources
Reaxys:21245280Reaxys
Citations