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 ChemicalBook:CB6373566, eMolecules:478733, ZINC000000895218 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