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

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ChEBI Name 4-hydroxy-3-all-trans-decaprenylbenzoic acid
ChEBI ID CHEBI:64136
ChEBI ASCII Name 4-hydroxy-3-all-trans-decaprenylbenzoic acid
Definition A monohydroxybenzoic acid that is 4-hydroxybenzoic acid in which the hydrogen at position 3 is substituted by a decaprenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C57H86O3
Net Charge 0
Average Mass 819.29090
Monoisotopic Mass 818.65770
InChI InChI=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+
InChIKey CMPNJZREBHCPHN-LTNIBBDRSA-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\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-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 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 Sources
3-Decaprenyl-4-hydroxybenzoate ChemIDplus
3-decaprenyl-4-hydroxybenzoic acid ChEBI
Pphb-10 ChemIDplus
Registry Number Type Source
636-57-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
2347426 PubMed citation Europe PMC
2916849 PubMed citation Europe PMC
836803 PubMed citation Europe PMC
Last Modified
07 April 2015