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 ZINC000004228270 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 Types Sources 2347426 PubMed citation Europe PMC 2916849 PubMed citation Europe PMC 836803 PubMed citation Europe PMC Last Modified 07 April 2015