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CHEBI:84452 - 3,4-dihydroxy-5-all-trans-octaprenylbenzoate

ChEBI IDCHEBI:84452
ChEBI Name3,4-dihydroxy-5-all-trans-octaprenylbenzoate
Stars
ASCII Name3,4-dihydroxy-5-all-trans-octaprenylbenzoate
DefinitionA 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 8 prenyl units; major species at pH 7.3.
Last Modified25 September 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC47H69O4
Net Charge-1
Average Mass698.065
Monoisotopic Mass697.52013
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/Cc1cc(C(=O)[O-])cc(O)c1O
InChIInChI=1S/C47H70O4/c1-35(2)17-10-18-36(3)19-11-20-37(4)21-12-22-38(5)23-13-24-39(6)25-14-26-40(7)27-15-28-41(8)29-16-30-42(9)31-32-43-33-44(47(50)51)34-45(48)46(43)49/h17,19,21,23,25,27,29,31,33-34,48-49H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,50,51)/p-1/b36-19+,37-21+,38-23+,39-25+,40-27+,41-29+,42-31+
InChIKeyZTGCMYPRIIAXFD-LHSBZCSKSA-M
ChEBI Ontology
Outgoing Relation(s)
3,4-dihydroxy-5-all-trans-octaprenylbenzoate (CHEBI:84452) is a 3,4-dihydroxy-5-polyprenylbenzoate (CHEBI:64694)
3,4-dihydroxy-5-all-trans-octaprenylbenzoate (CHEBI:84452) is conjugate base of 3,4-dihydroxy-5-all-trans-octaprenylbenzoic acid (CHEBI:84451)
Incoming Relation(s)
3,4-dihydroxy-5-all-trans-octaprenylbenzoic acid (CHEBI:84451) is conjugate acid of 3,4-dihydroxy-5-all-trans-octaprenylbenzoate (CHEBI:84452)
IUPAC Name 
3,4-dihydroxy-5-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzoate
Synonym  Source
3-all-trans-octaprenyl-4,5-dihydroxybenzoateSUBMITTER
UniProt Name  Source
3,4-dihydroxy-5-(all-trans-octaprenyl)benzoateUniProt
Manual XrefsDatabases
CPD-9894MetaCyc