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

ChEBI IDCHEBI:50116
ChEBI Name4-hydroxy-3-octaprenylbenzoic acid
Stars
Last Modified5 June 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC47H70O3
Net Charge0
Average Mass683.074
Monoisotopic Mass682.53250
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)/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+
InChIKeyUTIBHEBNILDQKX-LQOKPSQISA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 XrefsDatabases
C05809KEGG COMPOUND