CHEBI:31116 - 3-hexaprenyl-4-hydroxybenzoic acid

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ChEBI Name 3-hexaprenyl-4-hydroxybenzoic acid ChEBI ID CHEBI:31116 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 C37H54O3 Net Charge 0 Average Mass 546.82286 Monoisotopic Mass 546.40730 InChI InChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+ InChIKey LKMQQQABIGIHGL-LAAQXVIISA-N SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C(O)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 3-hexaprenyl-4-hydroxybenzoic acid (CHEBI:31116) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 3-hexaprenyl-4-hydroxybenzoic acid (CHEBI:31116) has role mouse metabolite (CHEBI:75771) 3-hexaprenyl-4-hydroxybenzoic acid (CHEBI:31116) is a monohydroxybenzoic acid (CHEBI:25389) 3-hexaprenyl-4-hydroxybenzoic acid (CHEBI:31116) is conjugate acid of 4-hydroxy-3-all-trans-hexaprenylbenzoate (CHEBI:84492) Incoming 4-hydroxy-3-all-trans-hexaprenylbenzoate (CHEBI:84492) is conjugate base of 3-hexaprenyl-4-hydroxybenzoic acid (CHEBI:31116) IUPAC Name 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxybenzoic acid Synonyms Sources (all-E)-3-(3,7,11,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acid ChemIDplus 3-Hexaprenyl-4-hydroxybenzoic acid KEGG COMPOUND all-trans-3-(3,7,11,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acid ChEBI Manual Xref Database C13425 KEGG COMPOUND View more database links Registry Number Type Source 65848-03-5 CAS Registry Number ChemIDplus Last Modified 27 January 2016