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CHEBI:64136 - 4-hydroxy-3-all-trans-decaprenylbenzoic acid

Default Structure
ChEBI IDCHEBI:64136
ChEBI Name4-hydroxy-3-all-trans-decaprenylbenzoic acid
Stars
ASCII Name4-hydroxy-3-all-trans-decaprenylbenzoic acid
DefinitionA monohydroxybenzoic acid that is 4-hydroxybenzoic acid in which the hydrogen at position 3 is substituted by a decaprenyl group.
Last Modified7 April 2015
Submittermwilliams
DownloadsMolfile
FormulaC57H86O3
Net Charge0
Average Mass819.312
Monoisotopic Mass818.65770
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/CC/C(C)=C/Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C57H86O3/c1-44(2)21-12-22-45(3)23-13-24-46(4)25-14-26-47(5)27-15-28-48(6)29-16-30-49(7)31-17-32-50(8)33-18-34-51(9)35-19-36-52(10)37-20-38-53(11)39-40-54-43-55(57(59)60)41-42-56(54)58/h21,23,25,27,29,31,33,35,37,39,41-43,58H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,59,60)/b45-23+,46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+
InChIKeyCMPNJZREBHCPHN-LTNIBBDRSA-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-decaprenylbenzoic acid (CHEBI:64136) is a monohydroxybenzoic acid (CHEBI:25389)
4-hydroxy-3-all-trans-decaprenylbenzoic acid (CHEBI:64136) is a olefinic compound (CHEBI:78840)
4-hydroxy-3-all-trans-decaprenylbenzoic acid (CHEBI:64136) is conjugate acid of 4-hydroxy-3-all-trans-decaprenylbenzoate (CHEBI:84503)
Incoming Relation(s)
4-hydroxy-3-all-trans-decaprenylbenzoate (CHEBI:84503) is conjugate base of 4-hydroxy-3-all-trans-decaprenylbenzoic acid (CHEBI:64136)
IUPAC Name 
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-4-hydroxybenzoic acid
Synonyms  Source
3-Decaprenyl-4-hydroxybenzoateChemIDplus
3-decaprenyl-4-hydroxybenzoic acidChEBI
Pphb-10ChemIDplus
Registry NumbersSources
CAS:636-57-7ChemIDplus
Citations