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CHEBI:84501 - 4-hydroxy-3-all-trans-nonaprenylbenzoic acid

ChEBI IDCHEBI:84501
ChEBI Name4-hydroxy-3-all-trans-nonaprenylbenzoic acid
Stars
ASCII Name4-hydroxy-3-all-trans-nonaprenylbenzoic acid
DefinitionA monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted at position 3 by a nonaprenyl group.
Last Modified2 April 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC52H78O3
Net Charge0
Average Mass751.193
Monoisotopic Mass750.59510
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/Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C52H78O3/c1-40(2)19-11-20-41(3)21-12-22-42(4)23-13-24-43(5)25-14-26-44(6)27-15-28-45(7)29-16-30-46(8)31-17-32-47(9)33-18-34-48(10)35-36-49-39-50(52(54)55)37-38-51(49)53/h19,21,23,25,27,29,31,33,35,37-39,53H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,54,55)/b41-21+,42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+
InChIKeyYKKKMRBEPIZPBH-XWEAJCOCSA-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-all-trans-nonaprenylbenzoic acid (CHEBI:84501) is a monohydroxybenzoic acid (CHEBI:25389)
4-hydroxy-3-all-trans-nonaprenylbenzoic acid (CHEBI:84501) is a olefinic compound (CHEBI:78840)
4-hydroxy-3-all-trans-nonaprenylbenzoic acid (CHEBI:84501) is conjugate acid of 4-hydroxy-3-all-trans-nonaprenylbenzoate (CHEBI:84502)
Incoming Relation(s)
4-hydroxy-3-all-trans-nonaprenylbenzoate (CHEBI:84502) is conjugate base of 4-hydroxy-3-all-trans-nonaprenylbenzoic acid (CHEBI:84501)
IUPAC Name 
4-hydroxy-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]benzoic acid
Synonym  Source
3-nonaprenyl-4-hydroxybenzoic acidChEBI
Manual XrefsDatabases
C03885KEGG COMPOUND
NONAPRENYL-4-HYDROXYBENZOATEMetaCyc
Registry NumbersSources
CAS:38332-13-7ChemIDplus