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CHEBI:1617 - 4-hydroxy-3-octaprenylbenzoate

ChEBI IDCHEBI:1617
ChEBI Name4-hydroxy-3-octaprenylbenzoate
Stars
DefinitionA 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 8 prenyl units; major species at pH 7.3.
Last Modified25 September 2024
DownloadsMolfile
FormulaC47H69O3
Net Charge-1
Average Mass682.066
Monoisotopic Mass681.52522
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-])ccc1O
InChIInChI=1S/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50)/p-1/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+
InChIKeyUTIBHEBNILDQKX-LQOKPSQISA-M
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-3-octaprenylbenzoate (CHEBI:1617) has functional parent benzoate (CHEBI:16150)
4-hydroxy-3-octaprenylbenzoate (CHEBI:1617) is a 4-hydroxy-3-polyprenylbenzoate (CHEBI:78396)
4-hydroxy-3-octaprenylbenzoate (CHEBI:1617) is conjugate base of 4-hydroxy-3-octaprenylbenzoic acid (CHEBI:50116)
Incoming Relation(s)
4-hydroxy-3-octaprenylbenzoic acid (CHEBI:50116) is conjugate acid of 4-hydroxy-3-octaprenylbenzoate (CHEBI:1617)
IUPAC Name 
4-hydroxy-3-[(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
Synonyms  Source
3-Octaprenyl-4-hydroxybenzoateKEGG COMPOUND
4-Hydroxy-3-octaprenylbenzoateKEGG COMPOUND
UniProt Name  Source
4-hydroxy-3-(all-trans-octaprenyl)benzoateUniProt