CHEBI:62790 - 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid

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ChEBI Name 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid ChEBI ID CHEBI:62790 Definition A monohydroxybenzoic acid that is 4-hydroxybenzoic acid in which the hydrogens at positions 3 and 5 are substituted by a methoxy and a nonaprenyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C53H80O4 Net Charge 0 Average Mass 781.19990 Monoisotopic Mass 780.60566 InChI InChI=1S/C53H80O4/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-49-38-50(53(55)56)39-51(57-11)52(49)54/h20,22,24,26,28,30,32,34,36,38-39,54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3,(H,55,56)/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+ InChIKey FDPPBYXDOXRDHA-JSGWLJPKSA-N SMILES COc1cc(cc(C\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)CCC=C(C)C)c1O)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 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) has functional parent 3-nonaprenyl-4,5-dihydroxybenzoic acid (CHEBI:62788) 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) is a methoxybenzoic acid (CHEBI:25238) 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) is a monohydroxybenzoic acid (CHEBI:25389) 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) is a phenols (CHEBI:33853) 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) is conjugate acid of 3-nonaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:62791) Incoming 3-nonaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:62791) is conjugate base of 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) IUPAC Name 4-hydroxy-3-methoxy-5-[(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 Synonyms Sources 3-(3,7,11,15,19,23-nonamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid MetaCyc 4-hydroxy-3-methoxy-5-nonaprenylbenzoic acid ChEBI all-trans-3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid ChEBI all-trans-4-hydroxy-3-methoxy-5-nonaprenylbenzoic acid ChEBI Manual Xref Database CPD-9898 MetaCyc View more database links Last Modified 23 August 2011