EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:84517 - 3-(all-trans-nonaprenyl)benzene-1,2-diol

ChEBI IDCHEBI:84517
ChEBI Name3-(all-trans-nonaprenyl)benzene-1,2-diol
Stars
ASCII Name3-(all-trans-nonaprenyl)benzene-1,2-diol
DefinitionA 3-(all-trans-polyprenyl)benzene-1,2-diol in which the substituent at position 3 is an all-trans-nonaprenyl moiety.
Last Modified7 April 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC51H78O2
Net Charge0
Average Mass723.183
Monoisotopic Mass722.60018
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/Cc1cccc(O)c1O
InChIInChI=1S/C51H78O2/c1-40(2)20-11-21-41(3)22-12-23-42(4)24-13-25-43(5)26-14-27-44(6)28-15-29-45(7)30-16-31-46(8)32-17-33-47(9)34-18-35-48(10)38-39-49-36-19-37-50(52)51(49)53/h19-20,22,24,26,28,30,32,34,36-38,52-53H,11-18,21,23,25,27,29,31,33,35,39H2,1-10H3/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-38+
InChIKeyPKYZMVIVZPJXFM-XBVQZQHUSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(all-trans-nonaprenyl)benzene-1,2-diol (CHEBI:84517) is a 3-(all-trans-polyprenyl)benzene-1,2-diol (CHEBI:62729)
IUPAC Name 
3-[(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-diol
Synonym  Source
2-nonaprenyl-6-hydroxyphenolMetaCyc
UniProt Name  Source
3-(all-trans-nonaprenyl)benzene-1,2-diolUniProt
Manual XrefsDatabases
CPD-9868MetaCyc