CHEBI:50116 - 4-hydroxy-3-octaprenylbenzoic acid

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ChEBI Name 4-hydroxy-3-octaprenylbenzoic acid ChEBI ID CHEBI:50116 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C47H70O3 Net Charge 0 Average Mass 683.05690 Monoisotopic Mass 682.53250 InChI InChI=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)/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+ InChIKey UTIBHEBNILDQKX-LQOKPSQISA-N SMILES CC(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(ccc1O)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 4-hydroxy-3-octaprenylbenzoic acid (CHEBI:50116) has functional parent benzoic acid (CHEBI:30746) 4-hydroxy-3-octaprenylbenzoic acid (CHEBI:50116) is a monohydroxybenzoic acid (CHEBI:25389) 4-hydroxy-3-octaprenylbenzoic acid (CHEBI:50116) is conjugate acid of 4-hydroxy-3-octaprenylbenzoate (CHEBI:1617) Incoming 4-hydroxy-3-octaprenylbenzoate (CHEBI:1617) is conjugate base of 4-hydroxy-3-octaprenylbenzoic acid (CHEBI:50116) 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]benzoic acid Manual Xref Database C05809 KEGG COMPOUND View more database links Last Modified 05 June 2008