EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:84518 - 3-(all-trans-decaprenyl)benzene-1,2-diol

Default Structure
ChEBI IDCHEBI:84518
ChEBI Name3-(all-trans-decaprenyl)benzene-1,2-diol
Stars
ASCII Name3-(all-trans-decaprenyl)benzene-1,2-diol
DefinitionA 3-(all-trans-polyprenyl)benzene-1,2-diol in which the substituent at position 3 is an all-trans-decaprenyl moiety.
Last Modified7 April 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC56H86O2
Net Charge0
Average Mass791.302
Monoisotopic Mass790.66278
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/CC/C(C)=C/Cc1cccc(O)c1O
InChIInChI=1S/C56H86O2/c1-44(2)22-12-23-45(3)24-13-25-46(4)26-14-27-47(5)28-15-29-48(6)30-16-31-49(7)32-17-33-50(8)34-18-35-51(9)36-19-37-52(10)38-20-39-53(11)42-43-54-40-21-41-55(57)56(54)58/h21-22,24,26,28,30,32,34,36,38,40-42,57-58H,12-20,23,25,27,29,31,33,35,37,39,43H2,1-11H3/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-42+
InChIKeyCAUJTFNFOAMXRT-XRBHBMLSSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(all-trans-decaprenyl)benzene-1,2-diol (CHEBI:84518) is a 3-(all-trans-polyprenyl)benzene-1,2-diol (CHEBI:62729)
IUPAC Name 
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]benzene-1,2-diol
Synonym  Source
2-decaprenyl-6-hydroxyphenolMetaCyc
UniProt Name  Source
3-(all-trans-decaprenyl)benzene-1,2-diolUniProt
Manual XrefsDatabases
CPD-9867MetaCyc